#METABOLOMICS WORKBENCH ghost910_20251130_194817 DATATRACK_ID:6780 STUDY_ID:ST004459 ANALYSIS_ID:AN007465 PROJECT_ID:PR002816 VERSION 1 CREATED_ON December 9, 2025, 12:38 am #PROJECT PR:PROJECT_TITLE Drought Stressed Astragalus Metabolomics Data PR:PROJECT_TYPE Untargeted Metabolomics PR:PROJECT_SUMMARY Background: Astragalus membranaceus var. mongholicus is a high-value medicinal PR:PROJECT_SUMMARY plant whose growth and medicinal compound accumulation are severely impacted by PR:PROJECT_SUMMARY drought. Understanding its metabolic adaptation to water deficit is crucial for PR:PROJECT_SUMMARY improving cultivation and quality. While physiological responses are documented, PR:PROJECT_SUMMARY a comprehensive, untargeted metabolomic profile revealing the systemic PR:PROJECT_SUMMARY reprogramming of metabolites across different tissues and drought intensities PR:PROJECT_SUMMARY remains lacking. Objectives: This metabolomics study aimed to comprehensively PR:PROJECT_SUMMARY characterize the drought-induced metabolic responses in A. mongholicus PR:PROJECT_SUMMARY seedlings. Specifically, we sought to: 1) Profile the global metabolite changes PR:PROJECT_SUMMARY in both aboveground and root tissues under light (LD), moderate (MD), and severe PR:PROJECT_SUMMARY (SD) drought stress using liquid chromatography-mass spectrometry (LC-MS); 2) PR:PROJECT_SUMMARY Identify and quantify differentially accumulated metabolites (DAMs) associated PR:PROJECT_SUMMARY with each stress level; 3) Determine the key metabolic pathways perturbed by PR:PROJECT_SUMMARY drought through KEGG enrichment analysis; and 4) Integrate metabolomic findings PR:PROJECT_SUMMARY with physiological data to elucidate the functional role of metabolic changes in PR:PROJECT_SUMMARY drought adaptation. Main Achievements: Untargeted LC-MS metabolomics identified PR:PROJECT_SUMMARY a total of 921 DAMs (562 in positive ion mode, 359 in negative mode) in A. PR:PROJECT_SUMMARY mongholicus seedlings under drought. The number and direction of metabolic PR:PROJECT_SUMMARY changes exhibited clear tissue-specific and stress intensity-dependent patterns. PR:PROJECT_SUMMARY Aboveground tissues responded primarily by down-regulating metabolites, with key PR:PROJECT_SUMMARY up-regulations in the antioxidant metabolite glutathione and its related PR:PROJECT_SUMMARY pathways (glutathione metabolism, cysteine and methionine metabolism) under LD. PR:PROJECT_SUMMARY In roots, an active up-regulation of metabolites dominated, especially under SD. PR:PROJECT_SUMMARY Pathway analysis revealed that roots reconfigured core amino acid metabolism PR:PROJECT_SUMMARY (e.g., tryptophan, tyrosine, arginine, and proline metabolism) to potentially PR:PROJECT_SUMMARY support energy supply and osmotic adjustment. The accumulation of osmolytes like PR:PROJECT_SUMMARY proline and soluble sugars correlated with these metabolic pathway shifts. This PR:PROJECT_SUMMARY study provides the first extensive metabolomic atlas of A. mongholicus under PR:PROJECT_SUMMARY drought stress, uncovering a tissue-divergent strategy: aerial parts enhance PR:PROJECT_SUMMARY antioxidant capacity, while roots rewire primary metabolism for resilience. PR:PROJECT_SUMMARY These findings and the identified metabolic markers offer a valuable resource PR:PROJECT_SUMMARY for understanding and improving drought tolerance in medicinal plants. PR:INSTITUTE Yili Normal University PR:DEPARTMENT College of Biological Science and Technology PR:LAST_NAME Kuerban PR:FIRST_NAME Tusong PR:ADDRESS No. 448, Jiefang West Road (formerly known as Jiefang Road), Yining City PR:EMAIL kurban910@163.com PR:PHONE 0999-8996985 #STUDY ST:STUDY_TITLE Drought stressed Astragalus metabolomics data analysis ST:STUDY_TYPE Untargeted Metabolomics ST:STUDY_SUMMARY This study investigated the metabolic responses of Astragalus seedlings to ST:STUDY_SUMMARY varying degrees of drought stress using non-targeted metabolomics. Seedlings ST:STUDY_SUMMARY were subjected to different drought treatments and analyzed via ST:STUDY_SUMMARY ultra-high-performance liquid chromatography coupled with tandem mass ST:STUDY_SUMMARY spectrometry (UHPLC-MS/MS). A total of 1,926 metabolites were identified in ST:STUDY_SUMMARY positive ion mode and 1,178 in negative ion mode. Multivariate statistical ST:STUDY_SUMMARY analyses, including PCA and PLS-DA, revealed distinct metabolic profiles between ST:STUDY_SUMMARY control and drought-treated groups. Differential metabolites were identified in ST:STUDY_SUMMARY the SDR.vs.CKR comparison, 118 metabolites were significantly altered in ST:STUDY_SUMMARY positive mode (88 up-regulated, 30 down-regulated). ST:INSTITUTE Yili Normal University ST:DEPARTMENT College of Biological Science and Technology ST:LAST_NAME Kuerban ST:FIRST_NAME Tusong ST:ADDRESS No. 448, Jiefang West Road (formerly known as Jiefang Road), Yining City ST:EMAIL kurban910@163.com ST:PHONE 0999-8996985 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Astragalus membranaceus var. mongholicus SU:TAXONOMY_ID 139259 SU:GENOTYPE_STRAIN not specified SU:AGE_OR_AGE_RANGE Seedlings, approximately 39 to 57 days post-sowing SU:WEIGHT_OR_WEIGHT_RANGE Not measured in this study SU:HEIGHT_OR_HEIGHT_RANGE Not measured in this study SU:GENDER Not applicable SU:SPECIES_GROUP Fabaceae #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - CKA_1 Sample source:Aboveground | Drought_Intensity:Control RAW_FILE_NAME(Raw file name)=CKA_1.mzML SUBJECT_SAMPLE_FACTORS - CKA_2 Sample source:Aboveground | Drought_Intensity:Control RAW_FILE_NAME(Raw file name)=CKA_2.mzML SUBJECT_SAMPLE_FACTORS - CKA_3 Sample source:Aboveground | Drought_Intensity:Control RAW_FILE_NAME(Raw file name)=CKA_3.mzML SUBJECT_SAMPLE_FACTORS - LDA_1 Sample source:Aboveground | Drought_Intensity:Light Drought RAW_FILE_NAME(Raw file name)=LDA_1.mzML SUBJECT_SAMPLE_FACTORS - LDA_2 Sample source:Aboveground | Drought_Intensity:Light Drought RAW_FILE_NAME(Raw file name)=LDA_2.mzML SUBJECT_SAMPLE_FACTORS - LDA_3 Sample source:Aboveground | Drought_Intensity:Light Drought RAW_FILE_NAME(Raw file name)=LDA_3.mzML SUBJECT_SAMPLE_FACTORS - MDA_1 Sample source:Aboveground | Drought_Intensity:Moderate Drought RAW_FILE_NAME(Raw file name)=MDA_1.mzML SUBJECT_SAMPLE_FACTORS - MDA_2 Sample source:Aboveground | Drought_Intensity:Moderate Drought RAW_FILE_NAME(Raw file name)=MDA_2.mzML SUBJECT_SAMPLE_FACTORS - MDA_3 Sample source:Aboveground | Drought_Intensity:Moderate Drought RAW_FILE_NAME(Raw file name)=MDA_3.mzML SUBJECT_SAMPLE_FACTORS - SDA_1 Sample source:Aboveground | Drought_Intensity:Severe Drought RAW_FILE_NAME(Raw file name)=SDA_1.mzML SUBJECT_SAMPLE_FACTORS - SDA_2 Sample source:Aboveground | Drought_Intensity:Severe Drought RAW_FILE_NAME(Raw file name)=SDA_2.mzML SUBJECT_SAMPLE_FACTORS - SDA_3 Sample source:Aboveground | Drought_Intensity:Severe Drought RAW_FILE_NAME(Raw file name)=SDA_3.mzML SUBJECT_SAMPLE_FACTORS - CKR_1 Sample source:Root | Drought_Intensity:Control RAW_FILE_NAME(Raw file name)=CKR_1.mzML SUBJECT_SAMPLE_FACTORS - CKR_2 Sample source:Root | Drought_Intensity:Control RAW_FILE_NAME(Raw file name)=CKR_2.mzML SUBJECT_SAMPLE_FACTORS - CKR_3 Sample source:Root | Drought_Intensity:Control RAW_FILE_NAME(Raw file name)=CKR_3.mzML SUBJECT_SAMPLE_FACTORS - LDR_1 Sample source:Root | Drought_Intensity:Light Drought RAW_FILE_NAME(Raw file name)=LDR_1.mzML SUBJECT_SAMPLE_FACTORS - LDR_2 Sample source:Root | Drought_Intensity:Light Drought RAW_FILE_NAME(Raw file name)=LDR_2.mzML SUBJECT_SAMPLE_FACTORS - LDR_3 Sample source:Root | Drought_Intensity:Light Drought RAW_FILE_NAME(Raw file name)=LDR_3.mzML SUBJECT_SAMPLE_FACTORS - MDR_1 Sample source:Root | Drought_Intensity:Moderate Drought RAW_FILE_NAME(Raw file name)=MDR_1.mzML SUBJECT_SAMPLE_FACTORS - MDR_2 Sample source:Root | Drought_Intensity:Moderate Drought RAW_FILE_NAME(Raw file name)=MDR_2.mzML SUBJECT_SAMPLE_FACTORS - MDR_3 Sample source:Root | Drought_Intensity:Moderate Drought RAW_FILE_NAME(Raw file name)=MDR_3.mzML SUBJECT_SAMPLE_FACTORS - SDR_1 Sample source:Root | Drought_Intensity:Severe Drought RAW_FILE_NAME(Raw file name)=SDR_1.mzML SUBJECT_SAMPLE_FACTORS - SDR_2 Sample source:Root | Drought_Intensity:Severe Drought RAW_FILE_NAME(Raw file name)=SDR_2.mzML SUBJECT_SAMPLE_FACTORS - SDR_3 Sample source:Root | Drought_Intensity:Severe Drought RAW_FILE_NAME(Raw file name)=SDR_3.mzML #COLLECTION CO:COLLECTION_SUMMARY This study collected tissue samples from Astragalus membranaceus var. CO:COLLECTION_SUMMARY mongholicus seedlings under four levels of drought stress. Stress treatments CO:COLLECTION_SUMMARY included Control (CK), Light Drought (LD), Moderate Drought (MD), and Severe CO:COLLECTION_SUMMARY Drought (SD), corresponding to soil water content of 80-85%, 65-70%, 50-55%, and CO:COLLECTION_SUMMARY 35-40% of saturated soil water capacity, respectively. The stress period lasted CO:COLLECTION_SUMMARY 18 days. Both aboveground and root tissues were separately collected from each CO:COLLECTION_SUMMARY treatment group, with three biological replicates per group, resulting in a CO:COLLECTION_SUMMARY total of 24 samples. All samples were immediately frozen in liquid nitrogen upon CO:COLLECTION_SUMMARY collection and stored at -80°C for subsequent untargeted metabolomics analysis. CO:SAMPLE_TYPE Seedlings #TREATMENT TR:TREATMENT_SUMMARY This study applied gradient drought stress treatments to Astragalus membranaceus TR:TREATMENT_SUMMARY var. mongholicus seedlings. Treatments consisted of four levels: Control (CK), TR:TREATMENT_SUMMARY Light Drought (LD), Moderate Drought (MD), and Severe Drought (SD), TR:TREATMENT_SUMMARY corresponding to soil water contents of 80-85%, 65-70%, 50-55%, and 35-40% of TR:TREATMENT_SUMMARY saturated soil water capacity, respectively. The stress treatment was initiated TR:TREATMENT_SUMMARY at the seedling stage and lasted for 18 days. Soil moisture was precisely TR:TREATMENT_SUMMARY maintained at the predetermined levels by daily replenishment of water loss TR:TREATMENT_SUMMARY using the weighing method in the evening. Upon termination of the treatment, TR:TREATMENT_SUMMARY both aboveground (shoot) and root tissues were separately collected from plants TR:TREATMENT_SUMMARY in each treatment group. Each group contained three independent biological TR:TREATMENT_SUMMARY replicates, resulting in a total of 24 tissue samples. All samples were TR:TREATMENT_SUMMARY immediately flash-frozen in liquid nitrogen upon collection and stored at -80°C TR:TREATMENT_SUMMARY for subsequent untargeted liquid chromatography-mass spectrometry (LC-MS) TR:TREATMENT_SUMMARY metabolomics profiling. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Sample preparation for untargeted metabolomics analysis was performed as SP:SAMPLEPREP_SUMMARY follows: Approximately 100 mg of plant tissue powder ground in liquid nitrogen SP:SAMPLEPREP_SUMMARY was weighed and extracted with 500 μL of 80% methanol aqueous solution. The SP:SAMPLEPREP_SUMMARY mixture was vortexed, incubated on ice for 5 min, and then centrifuged at 15,000 SP:SAMPLEPREP_SUMMARY g and 4℃ for 20 min. The supernatant was collected and diluted with MS-grade SP:SAMPLEPREP_SUMMARY water to a final methanol content of 35%, followed by another centrifugation SP:SAMPLEPREP_SUMMARY under the same conditions (15,000 g, 4℃, 20 min). The resulting supernatant SP:SAMPLEPREP_SUMMARY was subjected to LC-MS analysis. Chromatographic separation was carried out on a SP:SAMPLEPREP_SUMMARY Hypersil Gold column (C18) maintained at 40℃, with a flow rate of 0.2 mL/min. SP:SAMPLEPREP_SUMMARY Mobile phase A was 0.1% formic acid in water, and mobile phase B was methanol. SP:SAMPLEPREP_SUMMARY Mass spectrometric detection was performed using an electrospray ionization SP:SAMPLEPREP_SUMMARY (ESI) source in both positive and negative ion modes, with a scan range of m/z SP:SAMPLEPREP_SUMMARY 100–1500. The spray voltage was set to 3.5 kV, sheath gas flow rate to 35 psi, SP:SAMPLEPREP_SUMMARY auxiliary gas flow rate to 10 L/min, capillary temperature to 320°C, and SP:SAMPLEPREP_SUMMARY auxiliary gas heater temperature to 350℃. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Untargeted metabolomics analysis was performed using reversed-phase liquid CH:CHROMATOGRAPHY_SUMMARY chromatography coupled with tandem mass spectrometry (UHPLC-MS/MS). CH:CHROMATOGRAPHY_SUMMARY Chromatographic separation was carried out on a Thermo Fisher Vanquish UHPLC CH:CHROMATOGRAPHY_SUMMARY system equipped with a Hypersil Gold C18 column (100 mm × 2.1 mm, 1.9 μm). The CH:CHROMATOGRAPHY_SUMMARY column temperature was maintained at 40°C with a flow rate of 0.2 mL/min. The CH:CHROMATOGRAPHY_SUMMARY mobile phase consisted of 0.1% formic acid in water (phase A) and methanol CH:CHROMATOGRAPHY_SUMMARY (phase B). A linear gradient elution program was employed as follows: 0-1.5 min, CH:CHROMATOGRAPHY_SUMMARY 2% B; 1.5-4.5 min, B phase increased linearly from 2% to 85%; 4.5-14.5 min, B CH:CHROMATOGRAPHY_SUMMARY phase increased linearly from 85% to 100%; 14.5-14.6 min, B phase rapidly CH:CHROMATOGRAPHY_SUMMARY decreased from 100% to 2%; followed by re-equilibration at 2% B until 17.5 min CH:CHROMATOGRAPHY_SUMMARY (total run time 17.5 min, note: based on a standard 12-min gradient plus CH:CHROMATOGRAPHY_SUMMARY equilibration time; actual run time may vary). All samples, including quality CH:CHROMATOGRAPHY_SUMMARY control (QC) samples, were analyzed under this single chromatographic condition. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Fisher Vanquish UHPLC-Orbitrap Q Exactive HF CH:COLUMN_NAME Hypersil Gold C18 CH:SOLVENT_A Water with 0.1% (v/v) formic acid CH:SOLVENT_B Methanol CH:FLOW_GRADIENT Linear gradient from 2% to 100% methanol (Solvent B) over 14.5 min at 0.2 CH:FLOW_GRADIENT mL/min, followed by a rapid reset to 2% B and re-equilibration. Total runtime CH:FLOW_GRADIENT was 17.5 min. CH:FLOW_RATE 0.2 mL/min CH:COLUMN_TEMPERATURE 40 °C CH:METHODS_FILENAME Untargeted Metabolomics Experimental Methods-20241112 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE POSITIVE MS:MS_COMMENTS Untargeted metabolomics in positive ESI mode. Key parameters: spray voltage 3.5 MS:MS_COMMENTS kV, capillary temp 320 °C, sheath gas 35 psi, aux gas 10 L/min, S-lens RF 60, MS:MS_COMMENTS aux gas heater 350 °C. Full scan m/z 100-1500. Data processed using XCMS for MS:MS_COMMENTS peak picking/alignment. Metabolites identified by matching to spectral libraries MS:MS_COMMENTS (mass tolerance 10 ppm). Features with CV >30% in QC samples were removed. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples CKA_1 CKA_2 CKA_3 CKR_1 CKR_2 CKR_3 LDA_1 LDA_2 LDA_3 LDR_1 LDR_2 LDR_3 MDA_1 MDA_2 MDA_3 MDR_1 MDR_2 MDR_3 Factors Sample source:Aboveground | Drought_Intensity:Control Sample source:Aboveground | Drought_Intensity:Control Sample source:Aboveground | Drought_Intensity:Control Sample source:Root | Drought_Intensity:Control Sample source:Root | Drought_Intensity:Control Sample source:Root | Drought_Intensity:Control Sample source:Aboveground | Drought_Intensity:Light Drought Sample source:Aboveground | Drought_Intensity:Light Drought Sample source:Aboveground | Drought_Intensity:Light Drought Sample source:Root | Drought_Intensity:Light Drought Sample source:Root | Drought_Intensity:Light Drought Sample source:Root | Drought_Intensity:Light Drought Sample source:Aboveground | Drought_Intensity:Moderate Drought Sample source:Aboveground | Drought_Intensity:Moderate Drought Sample source:Aboveground | Drought_Intensity:Moderate Drought Sample source:Root | Drought_Intensity:Moderate Drought Sample source:Root | Drought_Intensity:Moderate Drought Sample source:Root | Drought_Intensity:Moderate Drought 7,8,3',4'-Tetrahydroxyflavone 3896471561 4431110388 4172350774 21146084.06 21031459.42 10351681.55 3441114336 3745255145 3670785994 46958607.9 22402096.73 19049899.25 4591576822 4292258169 5195572076 45635040.35 42244975.78 30615625.62 Gypsogenin 1025669621 1250754156 1416860671 334929321 446251525.6 616059925.7 778816284 1216597790 840258049.4 521918255.7 158707354.9 1572.231016 1398740174 1045453839 1049370206 153692601.9 307526084 140592401.7 Prosaikogenin D 424542581.1 664149228.2 428036496.9 7727441.096 5960141.975 3440009.719 788050942.3 386422545.8 380295518.9 4871870.97 1867536.754 6995705.719 873531476.3 511742625 504026654.5 5610920.514 5074350.498 8273897.273 Baldrinal 3283513.653 7053216.358 3777540.695 36220739.44 30844690.17 28040502.87 5745661.175 5482392.165 5816600.319 27110609.2 50654789.73 22224727.28 4853074.627 7132565.933 4913972.076 33134678.11 24822831.15 27471452.19 Ecliptasaponin D 132665911.6 145075262.1 133195269.6 37210185.85 66405146.97 34623413.57 313743682.3 110022424.1 158201407.5 31853766.64 18892719.47 45135332.08 163116923.7 116273762.3 97418430.9 32999037.52 20485473.57 25199032.79 2,3,5,4'-Tetrahydroxystilbene 2-O-beta-D-glucoside 2005970.739 4279653.064 2892952.879 139687.9694 107774.6873 876473.7414 2225483.975 1614130.816 1796765.357 114306.5019 1039146.257 667111.631 4176273.882 2016784.665 2628898.276 429065.3371 172207.7236 153818.847 14-Hydroxy sprengerinin C 26726980.44 42370477.3 23809428.38 120573976.6 114861171.6 141681139.2 31020857.86 30319819.72 39884432.7 136384805.6 273538851.6 140094360.4 50904649.42 34603057.96 18400566.79 229488717.4 126318695.3 141218189.5 Bufalin 39966454.03 49536287.02 84041694.01 95348.83623 575672.8042 1388138.129 47153186.82 54136108.34 41886691.52 158167.2429 359936.053 1077469.423 125225464.8 75680844.06 90659280.24 572038.6977 127856.9073 1206205.722 Fumagillol 1844967.328 2163017.202 1961511.644 16445453.86 2602473.004 3854578.371 1628165.942 2593059.047 2098636.428 23364636.56 14620250.34 427377553.4 2696794.369 2492177.473 2519713.384 20840909.3 20441813.45 17250406.01 Saikogenin D 614201205.3 828707502.8 795853876.3 671004412.6 997580179.5 1534881274 697239638.1 848639659.4 436856148.8 1939964893 1477912488 4948734.392 967364877 664506322.4 660587026.2 1638324578 841156135 1013567098 Polyphyllin H 1592841.053 1637814.715 2274047.556 12450413.9 10401577.99 13251075.36 869312.101 3920571.173 837672.9768 9557151.452 19058431.41 12055455.28 7315125.88 3696043.078 1731587.49 20902691.32 11222227.32 14484425.2 Ambroxide 56560773.03 63661435.76 48398687.97 55674793 71869293.92 78615570.82 62885873.53 44589500.44 57793834.36 76644172.87 56108869.35 62795077.26 53204540.6 50215445.27 51428570.71 70328069.9 54444752.23 52993308.96 Quassin 26706812.91 30654427.98 32475575.66 1358298.28 1213795.778 603541.4616 26274961.68 39521097.29 34952570.61 104507.8886 519088.6535 1176319.217 15040783.87 17006958.66 26249853.92 438725.0526 935915.577 1223088.408 Questin 754522305.2 356193031.9 761534133.2 2548259666 1042017572 544520539.4 396911228.4 353225658.9 478519824.4 969538628.4 1337260230 1310011216 157782889.6 401754530.4 694651315.7 622984823.4 1080829398 1012838559 Lucyoside B 49165798.06 77297287.48 46342223.74 621476.9371 847629.124 415614.5407 58167830.23 40937822.27 49090875.47 1240912.77 1561774.533 1176319.217 69250393.17 50613680.74 60420116.91 1211215.577 214940.2759 278666.7053 Cyaonoside B 50436339 34501238.56 37524495.85 566365419.2 897798025.3 954500306.4 57072490.87 38034507.63 24431460.17 853231552.4 655788536.1 833407837.7 37409303.85 49696654.45 20449738.26 980687026.6 598475654.6 840200189 Vasicinone 53342078.11 34264467.13 72022383.39 2404103.291 225967.4296 2453089.636 39481766.61 46403908.08 36458346.36 321470.8272 366688.0982 2783026.282 25720201.9 31432578.78 57994481 4029880.274 2675039.619 2434444.248 Oxysophocarpine 859079.1756 972806.266 591099.8131 18760283.88 29572547.31 25721115.26 228946.2138 324425.1165 1518003.004 22383774.35 6258706.879 11772207.93 1768072.199 1657105.275 773230.1329 19114869.01 15252057.78 23343609.14 20(R)-Ginsenoside Rg2 3871275.168 3710991.321 2364432.777 10506090.77 18773179.3 11604685.98 7075528.524 2562510.699 2624410.471 12827788.61 20183918.2 13745871.99 2430039.133 5155584.357 1774718.4 12021827.19 11726579.92 14165737.57 Isoeleutherin 31094656.82 15743413.33 21008386.9 637314691.8 349216771.5 195219818.8 38989466.05 26684259.22 28882494.62 133412602.6 327470068.6 315959359 46364875.26 20125794.02 22740851.99 345146536.7 622727161.3 459778771.3 Bayogenin 265523086.7 294002919.1 396040623.3 356941996.6 91135446.93 96363111.54 345883315 316478590.2 177383793.2 217432074 131183036.8 24615.62477 404160530.5 188371513.5 381259297 232471983.6 256151836.3 369297656.6 Lactiflorin 10983839.79 8775406.811 8487010.961 294097147.3 347589663.1 403407539.5 14497338.66 6819270.272 12380234.09 329203855.8 269056277.3 399924251.9 6694723.271 6085661.219 7406681.871 261886488.6 234184984.7 186881362.9 (+/-)-Abscisic acid 18689145.55 6665501.745 39387230.84 7330757.651 8704150.029 10867345.41 16284189.6 16458563.23 18283008.71 9864837.223 1787206.736 9153227.167 19587469.52 34938163.79 14289058.14 10358090.25 10373966.44 9550975.281 Zingibroside R1 32691913.06 13078314.35 30991857.55 54722839.6 116698778.7 98250491.75 23711840.43 25389716.39 12660375.05 100214462.8 99912239.31 93747724.38 16004029.64 14029600.41 13855677.13 94833611.06 53308339.15 104284470.9 Panaxatriol 21687224.86 33079246.25 23344295.13 4681017.322 3113027.013 8770531.152 27473901.77 24138322.61 26312889.27 5226982.829 6306459.745 680286.4108 33788772.58 28162016.07 19870970.2 4104678.584 2463780.597 5153730.84 3'-Methoxyflavonol 74721212.31 47603828.95 83218923.4 1605655586 804149807.7 413581064.3 78862408.1 39353778.16 69824945.42 864930082.1 648513347.2 638950562.3 35711079.53 50279859.16 87815889.86 420419415.6 590395470 552141499.4 Diosmetin-7-O-beta-D-glucopyranoside 240933739.7 467559600 341622102.3 6321024.008 9388915.82 2709071.798 247562036.2 291305532.7 195037644.9 20798354.88 4486757.033 329832.7995 300116377.2 183850850.6 253685784.8 8286723.138 4675482.038 4127884.138 Regaloside A 209514512.7 164182470.8 195536185.9 26849966.3 42344878.34 48438464.87 118243552.5 210429730.4 234144421.9 78652107.76 68551664.87 60384037.73 173908609.1 179222456.8 141227178.7 65023407.66 65784222.89 76633828.24 Colutehydroquinone 11978419.87 923193.3786 15752418.38 47244739.26 42745130.56 37753332.87 3213807.522 14515232.57 40382441.48 20693898.12 116655861.6 2343894.552 577855.8059 3158360.106 38778664.09 98499496.17 206772912.1 109681630.8 4'-Hydroxy-2,4-dimethoxychalcone 2614525.266 758824.0765 2944843.194 128060484.3 40822399.07 72169563.11 1016705.373 2463503.854 1771884.606 8318420.186 114525757.3 10223779.43 492975.2431 3258349.036 10242964.11 39243693.31 192893500.8 198717531.5 Adenine monohydrochloride hemihydrate 3790696060 3492404982 3947052330 1132394205 1066673628 1134596475 3163701829 6401236755 3704630240 1005837561 2003980132 1171265490 3409111004 6147267156 3203573733 1144854151 1043685801 1153659513 D-erythro-Sphingosine 8348336.861 8820026.033 6654751.483 10080323.15 15629360.83 15574791 9562121.809 7566870.892 8997105.745 13852059.47 10590735.97 10396881.96 11204574.48 7653959.944 6971603.555 17473877.04 9027005.887 16545562.63 Methyl 2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetate 71085494.31 40891972.83 67505184.59 1280393500 1122820461 1343626118 56925337.08 122687654 54845886.01 696435356.9 675247002.2 687011242.8 50357367.3 50272181.22 51460804.31 588321160.6 980278959.7 1300507002 trans-Nerolidol 16874690.53 9246314.814 6436327.36 5049586.833 5744662.478 4273436.664 8309545.962 17367265.73 10223498.63 3876684.406 4002795.95 3958150.725 29672129.32 11934195.1 8517650.172 7520410.853 10068048.97 14257302.4 Glycyrrhetic acid 3-O-beta-D-glucuronide 21643027.74 73544311.52 53147192.23 2522081.002 3446087.921 2394610.095 49237148.54 42747257.58 24884691.07 2862044.148 3364746.37 2005164.957 75665581.11 24215807.91 39087991.09 2757990.529 2728556.192 3697302.487 Isomucronulatol 1362308037 753429708.8 2269253490 879375129 328764172.1 356511394.4 1197224358 1464989889 1071938567 319333862.9 1014400357 553150715.3 816686243.6 1044768332 3529279051 424892228.1 3844949115 3418757724 Sedanolide 103659691.2 104750791.5 59789539 223065098.6 369303266.1 450829337 126511421.6 67783951.23 51307385.7 350782873.1 270940364.8 133679332.3 113016471.9 58969178.85 52996389.88 305973543.5 287882231.4 312239317.7 Resibufogenin 3467852.18 11765587.49 11204088.41 2074133.991 999285.4558 1265092.93 9789636.736 12106105.02 6173617.505 1537094.373 2078594.809 1855620.823 16983111.05 5813063.576 12028962.75 1351244.42 3889269.812 6009252.684 Persicogenin 47571751.09 19280885.27 91162267.76 216940556.2 70705857.11 134988483.8 47013775.08 59918991.46 63727009.21 199034794.6 399137967.7 163638398.7 13602212.75 47116549.29 113505412.9 327113135.1 559576629.2 483673176.6 3'-Hydroxypterostilbene 17751161.68 8897690.5 14084089.03 35745497.6 34211038.75 21452580.36 13285159.47 13768341.91 10422436.29 23887463.29 41677391.3 53503126.82 6294443.652 11763664.12 11859130.24 26121846.83 44528239.86 28626163.72 Bombykol 12544447130 13420521059 13688162332 8770424284 12447572927 13645936100 13252921384 14630913331 16063215583 13574927162 10075932573 11137342563 14723171765 12206139599 15101534775 10378734928 11325444041 12364870344 Ajugol 73161655.75 75247259.28 81695347.93 3558101.303 1318168.33 145466.4835 59637448.56 74494871.23 169372865.4 1458968.076 2198511.474 412150.2159 90920176.52 131603503 106514789.9 1329359.25 2583551.098 864998.299 (+)-Columbianetin 14321730.61 19760968.21 17733578 16871821.7 14398857 13930141.94 14232702.35 17184614.6 22624177.45 13160582.4 23017480.62 13578891.23 12067123.53 13409957.35 9532320.815 16033715.87 17119870.23 9528302.45 Incensole Acetate 33791990.54 27407375.83 53101980.91 8191952.516 13803990.01 12181091.78 17182823.12 54078255.64 22097034.45 12251433.44 6804900.206 13131335.71 26613702.57 14384788.22 24443675.95 15888818.58 8821213.595 11440878.61 Epoxymicheliolide 12565763.3 11926103.57 13533068.59 171327.2394 1396285.255 1797483.05 12997665.05 12073030.11 19483991.36 1331923.901 1305123.916 1434908.099 3842873.457 8057991.24 15415397.69 1820651.12 1974285.753 787439.7536 Arjunetin 191691360.5 330323133.1 375827098.8 13281015.59 13850757.85 14277170.22 169644270.1 318722959.4 172419832.7 16201893.51 18802345.51 5918204.629 370171634.1 340718151.3 221050132.7 14430862.84 14316212.25 15039319.31 Hispolon 4041255.442 3112547.972 3743857.165 8306003.554 9932171.3 7205983.618 3703789.196 3589646.947 3486709.858 6998525.74 15959023.8 6882317.405 2565530.334 3018259.771 2383887.852 8831015.093 9630981.196 7016278.631 Isoastragaloside I 24868965.9 12724818.71 14706305.62 406580462.7 500612827 782246694.8 37310356.12 30277442.18 19294513.83 472648151.6 426187114.4 552278147.8 22264785.07 21227279.59 17213835.92 607184910.6 330616452.2 431428248.8 Darutoside 262678680.1 99891761.41 231359278.9 12137063.38 16390029.85 17627982.67 102866909.5 216370037.6 29259078.89 16689678.51 25119340.92 2844867.951 234209597.3 121680549.3 96617028.44 8082045.236 10579455.91 11198226.47 Kirenol 29632540.36 20497664.04 19840459.68 60871607.35 62092774.6 68457914.85 30829867 26695770.5 15156168.15 66208184.31 37228685.67 95027296.6 21966219.74 37174894.45 25026267.89 67399602.15 74531279.14 96273522.83 Alisol B 23-acetate 47850458.26 69482961.39 57700063.74 1357388.173 187292.0532 195354.4346 59186579.8 58238964.92 53936600.28 504587.44 196792.5145 1077469.423 63695739.69 60811737.38 47497410.25 228115.3114 406409.0497 448298.3507 Senkyunolide A 14216292.19 9101014.365 14877776.2 65103270.62 64127368.12 67685292.54 10858640.02 22005609.24 6606249.368 45810953.65 66766444.02 40630541.44 9395992.711 10212295.59 12216695.66 39349553.9 91751497.54 47862987.14 Atractylenolide III 10422241.47 8079540.797 10703282.75 5621763.416 5056369.726 3555125.605 15490352.58 11243624.36 8388115.938 4921176.259 5527449.309 2737834.604 7432961.967 7790448.011 10335427.62 5569622.408 8043078.937 7385705.645 Dibutyl maleate 46572281.28 55008373.21 36125018.57 329493899 460767149.7 669632914.1 38571335.78 44589809.61 13968470.02 412884486.9 126875789.6 196448252.6 47503877.32 41843799.73 35742111.53 510403704.6 405856528.1 378165422.7 Shikonin 47182493.16 35220250.42 40986696.88 63374203.52 35356168.65 26218673.02 39100820.7 36884976.46 55618855.61 34035933.74 68115294 24240814.2 24949525.91 35351312.9 39610556.32 34108828.29 52189277.4 32694578.2 Nepodin 40159105.32 30914152.17 29758951.83 13692970.85 16196904.41 9901067.594 34982080.45 29754297.52 40633734.63 11636114.61 15320235.46 9430162.633 24052390.02 27192863.96 27668041.42 14127368.06 17776297.83 15472493.96 Dihydroartemisinin 5310194.815 4687766.745 4045764.255 45324267.24 40678201.22 51613443.42 5499329.399 7684515.776 1666351.01 24311685.7 31418576.62 10677200.09 3693241.706 8983468.505 5410395.517 30857939.97 37543060.52 38987952.33 Oroxylin A 73799857.97 49350506.76 39121628.72 134850541.4 61136937.29 89992392.53 24006862.49 21813011.8 36015946.39 85800928.91 84432338.48 50507316.19 10103604.47 19596744.12 66823196.53 36437600.23 50339099.58 69835491.6 Pennogenin 3-O-beta-chacotrioside 10777107 9596577.858 13401065.18 13299087.18 21815136.72 16000112.95 14033612.19 13580949.63 9485710.006 22827485.65 19325654.28 15616431.75 13921702.5 14023440.35 13891501.96 21751037.45 16817881.36 18349167.49 Phillygenin 33016004.3 18894986.14 17736226.18 1006854.698 347676.4887 341772.8532 22580436.78 23238333.87 18785731.95 1440520.849 1072070.457 837041.1084 24929876.33 22400589.61 19608224.1 1041042.601 2013663.786 2660575.943 Fraxinellone 12858816.91 9279263.447 12890279.69 1184562.827 1657145.567 418105.2901 24589085.21 7628153.327 9173670.321 2102347.677 809972.3453 214900.1845 3865303.297 4106124.505 8960775.924 175178.6407 2836205.175 1062359.22 Ferutinin 47969295.22 80565278.92 9231760.268 2074133.991 291143.6887 296048.33 15937321.81 60086431.55 17415086.23 1537094.373 2078594.809 1855620.823 21613758.76 27528425.2 10356945.23 1351244.42 3889269.812 6009252.684 Aristolactam I 22040476.08 26722299.09 22844311.65 2522081.002 3446087.921 2394610.095 20294737.94 31036335.49 20718547.42 2862044.148 3364746.37 2005164.957 33022262.29 31318585.92 22027623.93 2757990.529 2728556.192 3697302.487 Senkyunolide H 25287331.8 21597121.12 29298906.79 26991940.36 9467775.052 10896969.47 23184227.53 22450686.11 16031441.53 9141614.873 21146946.38 12830093.87 16844313.12 40223704.27 24168530.76 12798229.55 12093302.95 14770351.19 Agarotetrol 23947982.93 11084229.72 278019275.6 156381812.3 93982335.18 58588504.05 15958111.06 30644003.82 18519278.03 74869580.29 146580481.8 56316517.53 3216102.604 20876374.9 59846694.45 64846184.7 121603209.3 115463565.3 Proscillaridin A 1066658.715 782651.5763 548276.6136 1430460.662 2375056.71 2887358.546 112063.047 530303.5712 799769.5785 2270039.733 1492290.212 2686992.121 118200.0483 655637.5906 376496.0716 2839619.958 1202983.606 2016763.104 Bisabolol oxide A 114927694.8 86064602.43 189452831 71144092.32 17781960.21 19762686.95 95625684.62 189869000.5 55970278.66 22647764.75 47405167.75 15786463.33 94020130.96 152335285.3 123417202.7 39173235.42 30582583.9 52390443.3 Citrinin 5137741.059 3253945.475 3190944.046 13345794.28 12793536.46 8661350.402 3969730.782 4217616.368 3557691.844 8227411.919 16565852.42 17386995.01 3055527.815 3181311.329 3417301.746 10859034.4 15955507.74 9525454.817 Enfumafungin 33408525.05 1686710.464 1621909.79 35363932.49 92558112.6 107729883.5 2620683.222 1242341.379 2019174.315 88521460.15 73029460.34 85429828.29 3769296.182 2009872.566 2356301.431 73218938.13 57862102.73 50708480.1 2-Desoxy-4-epi-pulchellin 47650197.82 26509852.75 42088416.35 44079821.21 55274326.66 68202526.85 40364542.46 37696336 37737190.78 50168552.64 45097179.96 28663318.52 230303634.9 39080372.03 31678768.79 52352144.56 61519383.83 69251712.43 Lawsone 5482817.1 6863607.419 4595181.565 8717722.911 6387405.937 4643184.2 6433792.119 3435927.248 5653842.349 7352630.172 6430546.153 9438516.42 5108100.757 5420173.774 5154731.855 5465738.929 7072737.237 6202172.997 Tenacissoside G 2665124.025 358906.0494 1430639.129 6478463.206 13619352.14 17752702.87 754166.2238 1131683.813 331660.7492 10044905.92 11917559.74 8706015.053 613006.4758 1452078.613 311824.7462 12381040.07 8752673.614 15715604.95 Geranylgeraniol 6886713.834 7110866.461 6231583.525 5814710.59 6162413.145 7731322.402 5054585.677 5166267.231 7814725.399 6352342.012 6341518.188 6407691.433 9016175.676 5499522.749 5873824.557 5134180.302 5976421.707 5619828.382 alpha-Boswellic acid 5338750.681 4139025.899 3878608.176 12006954.49 17627613.39 19652349.21 6551650.819 6670330.799 1881536.502 73884466.36 32520860.96 24065297.08 5540946.381 4433948.657 2031075.36 43756281.36 23547028.51 52390156.1 Murrayone 1996958.653 1711705.278 4142910.338 22809056.43 16799774.84 11392720.72 1877291.072 2558382.464 2809321.891 12760308.37 21910259.07 19466895.41 1572764.465 2265698.717 2649015.271 14399770.64 16498780.06 13701538.23 Astragaloside II 2697361.345 1438533.31 4229708.428 293254529.8 279215483.5 483589815.7 4615984.8 4258928.501 3997424.743 355264637.7 375619070.5 311349706 2820446.115 3517644.344 3813112.941 334237103.9 159674803.8 271871065.1 Kaempferol-7,4'-dimethyl ether 1453623382 937436730.5 659833440.4 541206187.5 252759782.4 310073766.2 213258305.2 578093505.7 896612376.5 517804396.5 742843416.9 842972814 145474726 231270772 1236464321 1069868577 2311051145 1326580982 Sophoricoside 22331542.8 40259430.87 61954571.07 17715299.66 6838183.303 8693988.608 21436213.79 38763961.31 41641602.39 8665757.9 11592774.15 8119649.871 55280523.71 36811078.98 21946718.75 5940895.944 9425781.077 5520563.974 Brefeldin A 6213037.094 3212638.151 12072409.23 158479557.3 165831927.2 73176883.11 5468298.651 13816707.82 1493402.171 81416956.9 115417381.7 160278818.5 10141395.09 10332973.19 9281648.27 127156882.8 200461016.7 197778437.1 Asiatic acid 1095146.236 413607.8256 303932.4568 48888946.66 27069963.42 32617643.34 1805635.029 756969.7143 325584.2365 64482996.41 66205070.83 397019368 1733456.148 360731.9578 178747.8537 846912037.6 109908141.2 244685905.7 Germacrone 12274843.18 10634237.38 25123302.35 22581644.64 34778696.59 33617613.91 28154421.51 11586241.7 8430813.231 32917636.76 32070920.26 32189712.15 16057755.96 9265110.69 10495018.49 40811818.46 26206921.65 36069719.79 Madecassic acid 1360402.531 1304190.651 1049937.071 18543861.35 12845006.24 14996674.42 1773572.226 580909.8073 320308.7834 14215132.16 22501201.05 111116736.9 1477518.558 2257133.574 1684442.346 103397712 20115299.61 20046102.19 Curcumol 55172313.8 31680942.65 58961230.39 18854965.92 9861303.825 8121638.717 48166854.5 48065142.88 28393151.59 10411755.94 19981664.15 11268660.24 51157838.38 79479030.11 36781615.02 25248505.39 18453601.86 29711794.01 Sulfuretin 52961247.9 33273338.64 47792351.21 27803486.87 15913248.68 18946779.58 33651306.11 33510277.82 39754225.95 22568515.72 29300473.62 34262468.04 38638613.44 37217119.78 46451854.03 16850451.5 26034504.69 18999828.72 Pachymic acid 15658929.68 31833901.73 24539540.85 1334417.994 1857381.767 2060728.518 36296179.43 28529013.6 23658724.59 2194493.123 1988757.17 375979.8003 30805885.86 37786454.11 20696588.38 1939562.852 935667.7527 1638473.193 Poricoic acid B 184486546.7 307160593 345517709 55345617.97 50306529.7 28063384.98 309599724.4 290967572.5 166044999.2 36113303.22 40061331.77 620041.7676 356547664 187269774.7 367175003.4 57591147.87 50975765.71 38739676.44 Sinapaldehyde 189029482.3 144639564.3 148124514.8 108516841.3 113249590 82254951.59 139898446.4 164001689.9 165679147.5 96430337.58 135015061.6 89504648.39 141616080.8 166576825.9 155898089.3 109667137.9 117638847 75940817.8 Pinoresinol dimethyl ether 500246829.1 513279537.4 402070915.5 2022566044 2211530569 2770914489 576669880.9 420357940.3 754554283.7 2331719259 1746041402 1775077478 551556940.4 475620810.4 393532094.7 2551383493 2207831624 1843588055 2-Carboxybenzaldehyde 3189413.823 2764101.004 2697648.83 3125297.699 2519769.592 2447445.118 2922751.576 3016589.934 2814814.627 2456355.48 3010627.171 1992297.648 2917127.444 2708336.441 3101508.668 3014007.177 2724003.622 2553358.847 Ganoderal A 46218121.45 55331600.31 20014571.71 2458899.254 1262477.168 1433138.156 29430727.34 24823728.95 16901417.93 2454224.648 2722146.793 542360.3803 45853783.64 36389190.62 22255426.37 2289782.642 17135516.97 639307.8845 Calycosin-7-O-beta-D-glucoside 1190107108 794365839.1 1426238280 2324822384 742160140.7 466053630.6 621253115.8 571286754.6 760336920.4 644626552.1 1050646213 904502448.1 397618007.6 636010711.2 1166785245 422321093.9 597375405.2 702528347.2 Astragenol 51162459.27 56632323.87 51849706.47 214790955.6 222664091.8 310766313 32567851.55 52721983.16 45502620.38 222759684.6 318769635.7 152761385.9 56404364.09 42655775.02 26893177.01 299837696.6 234894028.1 223121652.1 Orsellinic acid 8364341.428 5922008.834 8161054.096 32467218.47 22632754 26115763.62 11550788.96 7870247.654 7878468.899 27012485.35 43941402.66 23441389.79 7427061.894 8079653.4 9441338.362 39813134.79 31153753.15 27690564.49 Quillaic acid 178390465.6 135144684.5 235327447.8 56054922.77 114685266.7 53917911.34 301582356.2 103189601.1 141854792.5 63129225.38 80402820.8 60647983.06 80257039.54 78674251.51 108911574 84812751.39 68899647.26 69390231.3 Cyclogalegenin 20520154.73 10234058.9 14081026.07 555744098.4 655031668.1 868626454.8 12497712.33 16099669.19 16357006.11 1051147275 770003019.8 1054800585 8505394.386 12963526.02 15263607.12 504624266.9 562228154.3 750093349.2 4-Methoxyphenethyl alcohol 115165006.9 117314173 114041722.8 145632818.3 141017411.5 172875482.3 112801880.4 112822350 146676992.1 154174184.1 123250442.5 112918819.2 130687293.8 132915437.4 103474612.4 164230983.8 150312276.3 119888112.9 Astragaloside I 5559860.434 5666335.293 8788700.07 80421403.17 131678300.6 106266533.8 8811145.498 9002281.47 5628825.022 77903810.33 77534458.82 104036503 12991319.79 9083717.102 6769907.507 144051549.8 59739627.04 87290775.18 3-Epiursolic Acid 32800111 12233323.15 24469626.33 81937953.03 130644909.5 153581868.8 49172405.13 13345610.68 9832511.737 167566953.2 129435128.8 321718088.8 32318921.67 36030141.88 21204075.03 227647956.5 161451675.2 164548107.3 Nardosinone 17018398.42 11310377.3 15963001.69 49903123.41 46250446.18 38767477.27 14978955.97 18692259.54 4985881.551 38909448.14 29296207.3 54961671.52 13577023.9 16736492.46 18420203.58 48905403.1 81061737.11 78936316.17 Isocurcumenol 73914016.3 129159351.2 124226410.5 51763151.08 54327097.9 25004731.53 105551824.6 83935918.26 72451516.29 27742117.84 63800335.72 12856829.99 106982513.1 149815250.4 88142425.72 125400828.3 53273819.8 101218158.6 Alisol C 23-acetate 58071798.97 82794376.44 56145006.08 380771.6107 1198171.673 1520332.911 63906461.28 64200275.28 58953691.54 646851.2475 1407644.937 1190771.746 81892044.23 68482719.3 68601347.16 579486.0637 972340.1288 1310997.317 Alisol A 2193177.39 3814186.885 2620442.708 36161796.99 42867096.79 50521246.22 4197660.118 2075740.2 2733549.803 50099567.57 126811395.3 340358303.5 1453439.841 885640.5278 4777076.386 130001942 49207950.66 124353051.5 12-Deoxywithastramonolide 1512392.216 4836679.333 1505672.533 707859.441 2346068.389 2829119.02 1020774.99 3025404.07 1689730.095 1727659.245 1300340.334 830899.8989 3378318.817 2576979.009 1119377.928 1378129.06 2918867.231 3871256.986 3-O-Caffeoylquinic acid methyl ester 7889524.263 4898935.084 6619381.388 112885.544 1114550.751 120391.846 4617579.166 5552053.952 8102655.274 197947.2854 336270.8437 1077469.423 3179706.403 4274671.688 5667130.225 52632.67041 95693.22543 112149.5534 Bavachalcone 110156097.2 81523340.4 67380619.6 12002373.05 22448783.36 15109066.57 81992403.77 85800281.19 84823497.43 14780145.72 12004806.59 2360081.839 40571386.52 85337586.46 62508592.96 26686697.56 18594390.25 8545584.311 Sec-O-Glucosylhamaudol 28104021.48 17279889.44 35365309.71 124318019.8 51517704.4 47320181.2 18528620.17 22908278.97 39866417.67 49956381.55 63972637.61 76118910.23 17755815.23 27802612.42 26825109.39 37841147.9 112548536.8 58748461.77 (-)-Syringaresinol 69273142.65 32294819.91 36761333.25 32785820.16 27775081.88 18569034.56 48718195.93 36835224.89 41025768.67 27719285.95 30517616.09 25247258.04 42275978.74 47652299.53 36559292.36 21910018.67 52605433.34 34533448.29 Kifunensine 422715.6411 221387.6646 115571.6771 1516666.734 1942947.495 1973364.997 157588.7031 378711.6891 515449.3572 2162254.855 4460801.905 2455638.874 127825.4329 199199.8786 1349098.965 3431851.139 2450792.641 2350261.595 Apigenin 7-O-malonylglucoside 56056858.21 25817414.67 49789455.78 132410906.9 66216763.12 36374951.81 38384173.62 32742770.43 62030367.22 94671748.41 69103912.63 88360942.42 32731983.48 52489458.62 39426693.87 57910299.44 88797909.89 53332408.77 Dehydropachymic acid 91926413.28 100163044.3 93441535 1049050.44 3240955.399 3522353.487 111261496.5 95536974.72 93796265.99 3042771.958 2091894.753 911565.7157 107497540.7 111210900.5 79257348.6 2457781.551 1253672.638 2168850.555 Artemisinin 22174632.15 14403300.27 16537726.02 48677290.16 21032213.24 14600588.62 20903936.57 16040869.94 23287519.76 27651882.25 32874871.09 30769423.03 21575158.25 27228580.37 20878414.59 37079163.9 41354726.56 38316065.45 Timosaponin AIII 28697602.49 36587466.72 26885526.19 5873123.223 6716271.701 5219573.21 78805760.36 38497929.55 28543412.47 7108557.369 7763546.912 3592115.419 84064691.17 27994018.11 35689258.48 8577315.286 6241930.851 7068169.381 Alisol A 24-acetate 178931004.3 394513128.1 257883113.8 1427122.538 1232394.315 127471.5135 555497986.3 313493688.5 346726739.9 699810.8245 1593830.291 1187731.475 439000073.1 517044322.5 202676201.8 173707.8957 1004438.742 1283547.204 Ganoderiol F 257182229.3 198378807.2 211631269.5 1547668750 1612406877 2127156804 303812977.9 120140553.6 129625029.6 1572392296 2153322999 2095891123 268037914.5 150438484.1 108994372.4 2018497036 1650837092 1965487631 Gymnemagenin 2829026.602 1228066.641 2552931.388 39360801.11 35634813.88 33763655.04 4284438.037 2460910.582 1247594.488 38028627.14 55497903.56 214717366.5 345450.5408 3282293.692 3460253.006 63268159.7 42552806.5 41807664.03 Pinoresinol 4-O-beta-D-glucopyranoside 23859925.36 26276853.61 20250210.46 2502982.116 4744255.072 4775603.823 18000584.64 10315642.36 11951212.46 2675640.242 3981504.507 1399232.454 12039465.98 12600502.94 9802800.531 6751823.703 1796204.518 2976469.469 Dehydrotumulosic acid 52036094.12 80607843.05 56009863.13 12423988.62 11551807.18 8808907.624 48752146.55 54376852.39 51654216.11 8379059.743 12596182.22 2887442.505 63201451.87 51129257.83 44619813.98 13155626.57 10147319.34 7949885.331 Hesperetin 7-O-glucoside 5393416.316 3424585.358 5339830.412 13516517.09 10276364.26 11879342.66 2716521.347 2894142.377 2882882.494 7437345.368 8164958.421 18509827.03 3596281.805 1612922.517 5923981.922 9344864.31 12414459.5 9393213.36 alpha-Hederin 13091386.72 29460975.17 14653313.09 1357388.173 406378.1641 707274.9495 29153141.12 15468886.08 12987557.59 707795.0695 1458674.775 430435.6928 42362577.36 11090681.72 18891109.31 516331.4387 906882.2424 411703.1683 (20S)-Protopanaxadiol 3742990.817 2020786.139 6047696.254 47987105.49 54827394.34 66126257.72 10158423.66 3544780.543 4231109.778 34535033.07 170950868.7 50009650.02 4266388.383 1442624.141 3651248.821 78515923.7 45168115.69 77367569.79 Picfeltarraenin IA 79749673.77 61761444.35 49219523.9 221035.1785 443186.5114 1921144.946 80779769.9 71160255.07 85439117.84 2353047.101 1830361.05 1857427.461 69555812.89 97649114.46 79125903.33 1811908.798 1323252.183 2920565.172 Manool 5445921.225 7237327.964 7072891.394 1418245.345 1023044.044 2839801.71 2680759.009 12241149.31 3821638.799 322677.5865 1387546.48 455075.4206 13430252.61 7500182.091 6524571.854 1148241.035 455401.9245 2869427.834 Panaxadiol 357984.1292 986027.3027 155833.4457 16048577.03 18681468.42 16927235.31 540521.6132 110908.58 388854.4772 14065159.36 22190333.84 24382017.99 1683271.723 1580477.494 1058861.966 21969946.45 15658869.43 18829067.9 Beta-asarone 29173034.46 22589831.08 28701950.3 98793302.04 107508342.6 95899910.62 21156426.22 30652911.64 22727547.27 131489053.8 33560722.11 42263461.8 22430442.02 13286901.96 21947242.62 114253980.9 65597785.75 63118247.32 14-Deoxyandrographolide 3284222.985 1219570.799 773844.2961 6271398.934 7686865.889 11286887.42 2719543.479 9847323.742 840342.4846 14415414.82 9046808.694 5742558.868 129579399.5 2924029.652 916542.4796 9257206.025 3487573.149 3862096.497 Isoliquiritin apioside 24615710.44 15463327.12 38796096.86 408818168.3 266075731 224930804.5 25132042.96 19666011.53 74122457.34 356016623.7 361428402.1 188943284.1 8486285.279 14956256.5 56367939.2 239816395.7 451675274.3 312747486.6 Asperuloside 10050910.17 12103207.84 9960040.719 4628900.661 2685963.199 3428882.834 5804798.006 10034419.33 10831116.48 2685194.008 3285773.169 2554434.571 6591197.963 9135052.144 9894467.6 1872356.945 5046801.267 3871456.198 Nicotinic acid riboside 291666474.9 266563012.2 244671703.7 206472948.6 123757506.1 141497102.9 244806032.1 246319332.3 304868113.2 108750305.6 230229501.7 193434204.4 276788390.9 331903570.3 139852868.3 200673509.4 191555108.3 88874897.51 Kainic acid 117080248.1 142762082.8 118045839.2 3840915.699 2867495.193 2855719.463 74403508.31 263410684.7 144247935.5 3941765.34 2497883.603 3785433.104 163047630 84712351.21 85202811.66 3306038.298 3038757.261 3335473.527 Wilforlide A 10883606.71 9449136.501 17847298.67 19605635.12 25228217.14 24958081.87 11537019.8 6561412.847 7905013.543 45273101 35839867.51 56915505.6 13839089.32 7387169.747 14276259.55 78476914.87 77594297.07 69002400.04 D-(+)-Melezitose 3482509.366 2767442.088 1007827.936 193665548.5 49402392.18 84757317.48 3263263.528 587115.7379 6216397.464 47206281.44 53123135.05 98609596.72 1893441.716 3549615.954 2019014.389 52512315.81 86259257.2 47758413.98 Trigonelline 1931989514 1677417605 1780866362 1141505774 701198806.9 898741030.4 2106336814 1912421374 1963496439 808760584.4 325070095.2 925529756.4 2015363098 2087667095 2284256838 512291886.1 955303787.1 563419174.5 Tetrahydrocortisone 64855401.61 36927947.61 137680690.9 138753050.1 157525280.5 142374657 51779252.5 100996613.1 24851955.23 150510990.8 111939302.3 19122417.62 85894882.82 84946129.97 61685562.6 188485916.5 212604415.1 183580510.4 Perillyl alcohol 24125419.79 20861199.02 30460160.1 44479250.31 49595910.56 45177913.31 27044688.14 20549716.22 18369010.25 36932711.77 38985947.91 42767832.18 22791431.01 10752890.56 16861052.94 52969298.47 51959866.89 52133578.98 7,4'-Di-O-methylapigenin 779468581.5 250262639.6 379023132 93105978.34 64293451.93 67851802.83 227330404.6 396617732.1 517711312.3 82129788.53 174568325.7 18865307.32 68598080.09 161529722.9 548674927.6 158667532.1 394379778.4 167239459.3 4-Ethylphenol 16598296.02 27544816.58 13675089.73 36561377.6 35943792.99 39938543.88 22564540.9 19430729.33 25739329.17 31252694.29 32645993.14 25014908.74 18051270.74 19413946.89 28437560.25 95436251.65 33129147.23 31103731.27 Tricaprilin 154605713.6 121355711.4 160487682.8 144246570.4 121546070.3 298451961.3 104770665.8 201672917.1 83241426.39 120575936.3 274240720.7 177659268.8 311952002.9 98830163.34 84461499.12 160305644.3 88262827.66 171929503.7 Epiandrosterone 26927339.13 23832487.92 20658183.33 12748692.79 19274161.64 28224893.59 19321111.39 36487415.24 18123617.38 33459586.73 19520982.5 21830584.17 29056594.91 22556423.61 25297106.93 24635855.71 24041223.44 18463394.42 3-Oxo-4,6-choladien-24-oic acid 45173495.01 49279881.92 67888750.57 982538.6765 197679.4779 109460.4062 49475778.4 91820035.78 40943635.93 994931.5046 378857.2583 3383791.494 59809620.31 58717406.65 51767420.02 1140237.823 438989.1942 166388.2427 Cortisone acetate 607876.6132 178459.5252 728480.7282 3731479.662 2593440.006 2620830.964 349733.7924 778130.2801 162350.2315 2216938.99 1723019.233 160278818.5 253983.5732 1004405.36 1364298.37 1967470.98 20181526.09 15830837.66 3-Amino-2-piperidinone 2600279.82 1753480.88 2141863.49 1992636.537 1412006.965 2962315.496 2377446.724 3426880.903 2845409.17 1076589.984 2957039.663 1023210.108 1935309.986 2646629.963 1752923.3 1837513.134 1777054.347 813642.5241 11beta-Hydroxyandrosterone 30131999.22 50603584.38 81139239.13 6092125.624 7489622.129 9550346.566 32218809.79 85068226.16 28919799.94 11648809.86 9039621.092 3332342.669 56268365.1 51149774.21 39120073.37 11693411.27 6578140.016 6907112.373 Matairesinol 391366309.5 252487741.1 314957186.4 147255404.7 177059805.6 97128001.16 321436637.5 227043654.3 222987067 149167675.3 169463162 107489267.3 167730249.9 246863003.3 207630132 102599472.7 218417797.9 113155109.8 beta-Elemonic acid 5392636.283 4990752.227 4910831.594 30521938.4 38924169.53 54589610.39 8853080.334 4532776.29 3894225.967 55834217.73 49761602.26 66670810.37 3925411.194 4283131.336 6115416.991 77476772.18 81760723.17 72945623.89 2-Amino-1-phenylethanol 1232740104 1035361812 1175187007 885325646.3 902390341.4 855684632.8 1329144031 1015421540 1546296223 1060608093 1006601451 930618369.8 911369479.1 1034363824 1027134059 625309503.6 575756811.7 788519274.4 11beta-Hydroxyprogesterone 26851973.49 34290203.81 42088678.28 1877288.462 1717981.1 2254362.614 27604510.55 29275783.49 34791773.44 1920061.418 2658564.605 46929.79051 57695675.24 31026563.52 28999467.5 2176728.084 1681761.584 2706746.744 Caryophyllene oxide 18741356.4 21823432.53 16920009.87 20352018.92 26702656.58 36861743.92 21783397.77 16667626.65 19310123.13 36601437.44 23876704.12 22336753.56 21974645.39 24604722.07 17329837.95 34051566.14 18605595.8 21055563.29 Isoalantolactone 34897710.22 34982378.52 40865100.71 7928499.965 8025285.503 7882300.692 36793542.19 35811781.23 27223486.22 9744754.758 8129744.484 1305813.386 37775069.14 35798320.11 55875939.75 9277249.552 11559316.39 9507754.379 Retinoic acid 29676703.19 31748967.05 38087931.16 4384334.889 5134962.905 7511392.794 38124956.74 38747314.02 23456726.06 4866616.252 5761475.485 1844923.019 47458912.47 40985156.06 38450073.93 6882411.56 4568086.143 6200814.592 Guaiazulene 35098756.01 36303431.51 49414489 24548217.81 22021397.61 29914397.17 51893425.76 38697948.96 27795993.42 22787970.87 40320555.12 4433180.531 47145750.43 55072624.19 41816957.51 25661539.14 75179181.77 104520932.7 9-cis-Retinal 2277142.898 5142216.456 2706573.313 528522.8894 461687.9387 93722.41671 3556458.696 5305234.543 3822033.385 107419.1001 247848.4286 477313.5206 6173242.31 5201913.582 2936239.05 140508.0974 50030.85158 76528.2177 Indole-3-carbinol 46732111.31 33281708.07 44041762.7 64359447.08 118897962 88100695.59 34017159.89 50135230.38 48539223.65 63482212.68 99072351.23 71514086.9 49837397.42 36960631.26 31432473.88 109161064.1 64946771.58 60005390.6 Riboflavin 37857441.22 40673015.58 50066906.8 22261718.28 10606175.73 20253652.97 24064753.23 58228181.27 48907178.61 8331494.467 28217637.38 32773829.21 45436202.27 52539967.35 47009174.64 18584236.98 11612919.32 12098423.86 Isorhamnetin 409380729.9 351085964.5 390540959.6 55428913.35 35255083.27 17397845.53 393954420.4 224559277.9 324513470.6 18601462.27 46553048.51 20009762.85 90200407.21 235917333.9 138149435.7 21801868.26 42892972.65 27355462.38 H-Val-Tyr-OH 114920982.7 110071257.9 94985502.69 93255832.13 84666032.21 99337117.47 79730685.5 55610011.58 93299330.2 101919842.3 119338294.6 79040816.77 63795952.07 77397490.61 51188964.44 68200908.94 62379113.18 66950371.13 (Ethoxymethyl)benzene 54991653.65 47607327.17 57544425.27 78424297.82 88992342.82 88755054.96 52210572.21 38363246.43 33556976.55 83540576.37 83509402.71 81164555.82 48982246.33 36485966.78 36538881.22 96811771.85 84347355.41 93100493.5 2'-O-Methyladenosine 69225721.37 52522245.43 71472352.56 36911796.07 42937972.89 43498875.55 52016269.02 48326686.56 52566069.81 55177207.25 95333331.51 45805656.88 31971645.08 49746923.94 41636298.48 29951716.76 26667972.55 31675133.05 4-Hydroxybenzyl alcohol 123471938.8 47042077.03 66090838.31 144571422.5 79166476.52 62508982.27 101768407.9 69575359.6 122650505.9 73495122.51 105790650.5 100075391.2 48300504.22 59263833.79 77848942.96 59063298.48 120963907.3 90462254.56 21-Hydroxypregnenolone 2018145.832 1830192.74 1261208.364 74304910.56 86422343.51 111491168.7 1536391.635 944001.3857 1449328.128 81996604.69 77343679.95 81548284.96 1642606.976 1232273.63 1441564.04 91489810.34 62717082.11 93258969.63 DEHP 2322359096 1623581697 1687518999 199763534.5 203889227.5 243062272.2 1770839691 2140398321 2229555855 261972023.5 275719183.5 213238113.4 2312381764 2328908916 1990358940 213028279.9 215915699 245771851.4 S-adenosyl-L-methionine 8172368.425 6933931.328 11292939.16 1387123.304 1659414.227 1551133.404 9023058.261 8561921.321 5606018.077 869583.5942 1203274.656 1783810.716 7853069.093 7190994.195 9548057.34 754040.4285 1927573.078 2653393.963 Histamine 42754709.32 12910519.89 13479472.24 1167038.929 4712487.329 721451.2208 27744242.49 22698243.2 39559204.85 1433244.418 2724625.013 2601339.074 29388896 31354088.22 14634429.28 1065199.054 1964384.859 2879551.998 Monoolein 34676121.23 23977644.84 49060915.42 59780056.82 67201120.47 78455503.75 40218255.06 29324116.43 38426797.13 49426274.31 20379256.43 35979025.53 20529241.58 15101285.05 37202295.65 158199417.3 63899138.42 65707202.73 7-Dehydrocholesterol 2106177.399 1594702.861 1056175.016 47787.18248 238249.3526 926552.7234 3705916.973 1544968.144 2192619.595 681781.5883 978233.4366 366170.8116 2341463.876 2059559.955 1173174.706 892841.2574 364823.927 351144.061 Uvaol 4571301.742 1592782.982 2151272.733 35738081.7 33525759.32 74288302.5 6009967.44 1224099.764 1686989.325 29214949.94 41295065.77 31181031.25 3191326.378 3256426.054 1800353.405 34112984.94 48625732.87 46874253.62 L-Alanyl-L-leucine 297074800.5 299465012.6 253927304.8 245558716.6 224949513.9 267307444.3 184041263.8 175393624.1 241175711.2 271278606.6 311352741.5 211539550.1 191432418 210511915.3 137994237.5 199958240.2 151024117.7 184117119.6 Ononin 144343525.9 127553284.4 211070851.1 1278845592 604153424.3 371736810.7 169812928.3 100649181.9 121021330.4 664930715.7 452400447.1 571669825.2 119059907.8 85887937.78 188411918.6 303469137.3 330398081.9 406695028.5 Corosolic acid 5637211.904 896801.679 4993438.357 51518818.96 63761399.28 101085859.7 3287435.282 519608.2968 2810354.087 75190689.35 65705723.98 66369833.31 15635317.26 392554.3473 997978.2896 98945792.97 44301702.87 54086738.49 Demethoxycurcumin 119734826.8 47849596.05 49871799.97 35286816.49 36836425.56 44255735.19 90447805.98 50848434.17 55694224.71 33912510.11 41623332.42 24910147.15 50747515.53 44990561.27 44301567.91 32086297.67 45338575.27 31658617.03 Artemether 14353480.7 10428553.55 9628381.061 330435033.9 365622945.2 175705638.9 15599598.52 20068802.1 4064606.032 173079358.4 233285422.6 391706.2846 18102053.14 13398292.93 12343728.65 276545600.7 396203424.6 429378361 Dihydromethysticin 9571056.777 4909367.027 9720584.26 29631967.85 11420561.88 9937510.319 6566250.598 7870080.612 18925932.03 10524100.45 16882838.96 19308698.57 6492883.434 11617270.6 7589235.85 7453481.171 26658993.15 13193133.93 Naringenin chalcone 132569000.6 113687866.5 111658000.4 34692529.55 22140402.13 19128903.95 98142703.77 108632245.8 111256420.4 41338417.09 22979592.8 26774709.58 127464637.7 130691288.5 124900342.2 26590545.2 34891991.56 33281264.73 Raspberry ketone glucoside 6240495.89 3054823.952 8640407.243 26636843.73 6939099.382 9310199.287 3106783.04 4367171.661 7189350.2 5104587.12 12742449.06 27337843.1 1102703.354 3663313.621 15348293.48 3079657.455 23031103.29 8825297.19 Isoliquiritigenin 54347269.8 10294727.52 31170752.46 138905534.4 41753561.46 52115805.14 15143266.9 42434296.18 9602712.316 28166624.2 99627880.7 3316018.74 6444819.935 15935592.07 70672989.87 38274807.61 122497885.5 94649427.09 10-Gingerol 2121328.212 1750745.412 2708389.99 48124026.12 62076452.94 106212816.5 2520927.72 2390351.839 1561457.043 109039447.1 80900509.82 55767930.97 8668357.737 818176.6763 1038792.832 66976956.49 20412991.6 47134718.45 Polydatin 7574903.479 8599610.19 12042758.98 1577814.218 1614464.487 1848089.149 3857087.296 8224550.863 4096606.746 1858985.337 1747969.39 1377395.469 12997581.03 8731954.497 15277067.37 1792372.978 1711374.866 2268414.211 Sclareolide 7573636.201 6397996.379 8374613.232 9615914.681 9551877.036 8974448.8 8697647.453 7800596.359 5454283.333 8918607.595 8848947.326 749746.9995 5922233.43 9013284.42 5262657.809 9573649.659 8740009.321 8235301.373 1-Hydroxyanthraquinone 1790469.14 898356.2905 1742222.182 13976891.35 6942988.362 2852125.558 847913.0267 933808.6214 1284240.636 6846066.023 7750004.716 7447880.387 253038.1179 1080891.032 2145565.413 3571006.476 6978703.648 6525739.378 Arnidiol 72738947.02 54630209.08 30460746.41 79894931.53 89818141.05 112875832.6 32642117.02 61156430.57 39159181.4 81042672.55 140644763.2 120494928.1 43729291.02 40765869.08 37590625.63 122689196.3 122266833.3 122651424.4 Palmitoylglycine 193182518 218176055.2 181275886.1 317958228.8 413954366.9 417599338.3 216162362.5 122621522.3 162222564.5 434924411.2 393637556.4 209633913.8 179503432.1 181959404.1 104869539 395552667.5 251926938.1 375295357.9 2,6-Dimethoxy-1,4-benzoquinone 48623728.86 28981744.71 37369296.95 37081892.1 28993206.34 29247066.99 58423451.71 28442850.08 33371592.51 27733474.28 38878728.31 31418204.18 24912295.48 23054300.44 42011265.28 34771708.46 39050723.56 30095055.11 Eupatorin 2895941.604 1875099.233 2716821.859 103571080.6 65004816.14 13996993.71 2152399.234 3690967.613 889595.4951 56555114.57 115846777.9 107603344.8 3513864.158 3695114.87 4266898.783 115595434.4 269484918.8 112595603.2 Bancroftinone 19425681.66 12543557.1 31627203.91 29807541.73 16496457.38 14034182.52 21159624.13 25360484.89 24370137.2 18303793.19 42129434.03 359537441.5 11591933.44 33522045.05 43985471.59 18655920.69 48345659.26 28100110.4 Obtusifolin 5550247514 2895342305 3453687763 2769851683 1124776416 1242916952 2020652112 2032775326 2527641325 1398668906 2059606508 1234488270 1013705514 2039347396 4649095729 627239991.3 958672591.6 1369691458 Dihydrokaempferol 24642992.86 19908694.69 26938861.18 79451878.95 17695303.92 15365087.6 11646773.4 13989810.97 22557626.67 16545358.02 36823873.07 24372623.69 16949423.43 17294073.97 30122050.81 15349524.18 30742014.64 21914190.05 [8]-Shogaol 867746.8204 544442.6323 969411.067 663631.2857 99587.4062 1103838.802 544284.3758 1054542.729 313007.8782 1615027.12 1367496.899 578289.0195 1335210.678 468642.2596 520052.1454 208058.5711 672060.943 253528.2064 11-Keto-beta-boswellic acid 2076681.052 1382903.305 1486532.305 15958561.43 21823271.56 29326028.93 2653985.355 1269382.168 1324001.709 23754682.07 17544532.94 23407049.4 1054830.159 1485638.941 1101823.222 32793912.42 17588667.53 21104310.26 Jujuboside B 26726980.44 42370477.3 23809428.38 8864551.401 7978462.183 5762309.592 31020857.86 30319819.72 39884432.7 4738096.255 8372308.734 5855358.139 50904649.42 34603057.96 18400566.79 20561767.97 11614968.89 18359050.4 Ganoderol B 15707958.44 11396042.26 15035570.64 256844519.8 244008504.1 213299355.5 12838093.43 16309205.3 8599853.162 620100476.2 237851648.5 919734466 12317704.27 11733317.18 8219347.305 472566950.2 316356865.2 323472133.9 2'-O-Methylisoliquiritigenin 35393369.2 15781726.9 25491356.27 1063772036 158802087.7 150192769.2 20475429.29 21360279.34 55893214.13 84117778.55 505886678.1 351802247.7 9844064.292 31101032.99 33542954.22 125948860.8 465644018.3 345144238.8 Xanthoxylin 37835616.64 9573297.673 55364881.57 6022748.563 3946968.102 4089208.716 28946917.26 32457330.26 79569185.9 2571741.23 13573660.9 90979668.37 9049377 70078774.52 72975136.76 3403288.84 16098999.87 11803901.52 Ginsenoside Ro 39273456.86 14167512.69 16902589.32 87824732.23 117877237 130704353.5 21406651 16541104.34 14211106.99 142325273.4 119884086.4 158116629.9 8361291.225 24069344.81 9225559.421 143234297.3 97099304.3 99475107.96 Ligustrazine 973535.4042 125534.5009 1009067.749 2545708.149 6376887.229 9432263.592 260064.6209 118577.8752 1488727.709 4515880.909 5850719.658 4177344.891 1684622.286 1630801.773 955425.0568 9538749.217 6791368.609 4272520.378 Resveratrol 16629429.31 11288495.89 14931895.1 46101569.63 18298814.02 13171898.98 11922388.53 12894546.18 9702853.63 11827109.39 27173435.16 22721415.26 1240177.399 9667762.692 16724800.5 14259910.06 23913450.17 20744786.37 Rhamnocitrin 2517147846 2905068007 3491141855 130086311.7 67393596.08 39528840.42 3209142906 2738221360 2314259368 120242287.1 104456916.7 39926138.34 2597742281 2172200360 2146936590 114506646.2 137013367 75579518.83 Sinapyl alcohol 26967120.54 14692907.42 43019188.48 22547059.9 8831415.571 10409427.87 21779960.14 28878774.98 18017602.44 10637771.02 31703472.36 5813055.441 14821878.27 22649109.66 71307759.09 18970007.42 95062642.71 86481264.53 Paradol 1641405.064 1347844.4 1211426.929 1086775.809 3876215.686 7478004.813 2128979.309 1404685.302 1312811.374 5423863.652 4484915.683 2714389.411 1907823.847 838326.5916 2345646.389 6673291.333 4131541.062 3430429.636 Tropolone 461342391 248328067.9 741337224.4 316961373.3 153010538.3 134153707.1 381413397.3 487973306.3 302856660.6 124667005.3 363897773.1 13600228.61 268946055.5 353924427.3 1209996992 167182823.5 1347058239 1133262224 Hispidol 27636686.2 13510352.29 17765718.2 31355499.08 16097259.95 15512831.01 34546744.21 15390133.26 17283671.8 18513873.16 30924564.58 16309416.37 8056381.556 14825166.17 33109841.16 18451797.12 26698035.57 31801620.17 Soyasaponin Bb 130765463.4 105043503.8 67974337.59 532515460.8 682826178.6 857473343.3 173523665.3 84003540.92 76691579.19 763698689.7 863705349 711721158.5 100175710.9 108463538.5 52963847.78 838892928.2 477800043.3 614943764 Phenylalanylalanine 76737820.81 78343311.64 64106891.34 77244164.8 64926672.34 63027431.48 59516240.39 46101836.19 69414623.24 70746234.59 101494476.9 63302559.03 51887314.03 61643634.66 48146896.7 47881933.51 41169642.98 46701063.61 Glucovanillin 202459932.9 81671559.6 252714249.6 6325492.895 4360626.126 5550529.51 60113847.99 100039156.9 50207328.87 4598215.297 5304554.425 5105162.098 112036386.4 80622453.07 126333186.4 5702642.475 6997803.195 4891102.693 Brassicin 62682972.19 43425776.8 55151746.31 2341947.894 130937.0409 1502065.675 65465436.14 31881612.28 46614212.88 528852.7679 2148441.366 1834858.878 22509656.4 34896018.01 31388419.84 1599136.122 3455918.987 6318435.455 Scutellarein tetramethyl ether 7986803.32 4288999.66 12492935.45 423994905.5 440556916.1 228874169.4 11302138.39 7898811.126 6689690.335 273554448.1 461108205.1 1650860009 2641399.331 3244734.824 9469828.222 324498192.3 408237236 300636101.4 DL-Leucyl-DL-phenylalanine 457863029 352192560 350356858.7 330828166.3 357666424.3 382516831.3 254041796.2 169364205.7 392863631 379173908.6 489506964.6 325318415.8 210826195.4 311646117.4 195510170.8 275454383.4 244270737.4 253536786.7 Stearamide 6035433444 6747980343 5555122244 4909845875 4824352811 6321820910 5454343923 5572577807 6341778697 5320419207 6077797400 5397936819 5850619485 6928480556 5725189882 3941153114 6353494378 6049767509 Harmalol 4397915.086 2843645.881 3163623.554 2725174.803 3036799.11 1185261.227 5105353.203 4170830.295 4809560.09 2043702.629 3522875.786 1831133.505 621101.2825 5171387.846 5886376.353 2203541.856 4784208.954 6349459.287 Tilianin 202657489 381656650.7 490539580.6 4301329.182 1011102.924 1293579.087 218802904.1 330804549.9 109525099 2062963.547 1036978.571 893058.5795 586007270.6 291195910.9 169799671.7 1143991.142 829358.4583 1162449.4 Methylnissolin 341005194.2 172449119.3 335975128.5 7567849530 7580852051 4706185135 282460858 228312881 268692436.2 5099222627 7346720878 7989310032 88482611.06 370174137.8 410934409.5 5469216696 6433118428 4666514292 Soyasapogenol A 183701282.4 14694068.22 11816253.99 26855663.86 227557887.6 301132840.6 463533046.2 21999937.25 8805241.67 135141206.6 146744420.1 208102019.9 524417222.1 18839985.63 7669228.269 36761486.27 116120081.4 174449954.4 Spathulenol 7509462.051 6442135.784 7951513.396 11904625.65 14336921.18 18165188.26 6085641.262 8973223.667 11635601.34 27608951.01 14754257.39 32238057.87 9309254.871 5572945.743 7244270.033 25873552.5 14643611 14072806.14 beta-Damascone 26222425.83 31007556.61 29652615.66 6595615.257 7392501.874 7411715.095 20796023.66 35666971.75 20949869.8 6705931.451 5744000.002 734050.9826 36834811 31535140.63 26817213.31 5591455.664 5926332.54 6560194.701 Demethoxyencecalin 1310203.296 7303295.081 9999166.801 12323317.45 12402374.78 9704560.211 8111460.478 12995455.62 13590115.29 15081158.37 14887522.55 8736354.727 20451661.38 15929894.01 10623601.82 12662697.03 14041564.77 12180026.36 Neoglycyrol 3098791.047 574448.9816 1273248.44 169849474.2 172640429.6 85963049.01 2879517.902 1188534.305 2313743.187 107289748.6 176400006.8 134587521.6 460338.0935 1644852.683 536725.288 122795037 152649721.9 105885842.1 Ethyl linolenate 72223566.47 33422862.87 48420831.4 2186133.263 5736973.736 5516639.515 45197498.53 50546815.02 12317082.63 4066328.364 12232801.4 6144956.439 106866779.2 17685428.96 46236034.17 8688331.691 11440715.24 18104806.45 Malabaricone C 1596931.322 1023042.582 1186225.855 6283669.934 14870721.2 8632189.167 329938.4399 1984503.891 785846.7092 6736388.765 8028364.649 2987510.261 517173.4126 1797504.116 1704476.431 8352641.545 6594230.611 7720782.62 Sesamin 186837041.1 137518927.5 105487880.6 91198751.35 124183167.5 88730493.74 100307106.8 144316656 120960336.8 116812493.1 130380085.3 100367355.8 94416989.37 125680852.9 102025298.8 120651895.1 166168523.3 141980363.8 2-Hydroxyacetophenone 5832610.996 4161631.274 6710576.955 6634134.138 5911627.772 7191189.203 3354643.989 5612743.872 4579642.727 5170773.778 4595392.832 3186079.458 6772786.687 7205067.6 6118501.964 5343161.608 8664415.321 7601480.848 Soyasapogenol B 76811136.72 69043111.11 83377379.39 164068626.5 398785820 438113077.8 122141999.6 66247220.7 59850019.46 979020728.1 435163844 1472399087 69493256.46 55670346.33 81138667.25 891440268.2 583958598.1 591301380 Levomenol 22576940.49 30349471.26 22664739.89 26654680.16 28350077.95 32769476.75 27009340.44 25402566.04 28615077.8 28846338.94 34314195.76 25392519.88 27154863.61 20957694.52 24061454.98 25673312.03 25437930.48 25196258.84 Ganoderic acid DM 23037676.32 7990627.091 12181187.84 26733439.19 9759009.794 10504547.04 17419296.17 8330942.534 9185563.574 15431801.27 44897644.29 174714341 6984356.042 9466305.221 10412715.7 253132875.8 66249536.99 86257561.85 Methyl oleanonate 258370.7253 12247241.77 13446216.21 20383251.99 835650.7225 1168951.466 1313624.956 6342287.968 17697357.08 7615897.551 582844.9613 403706.7689 2446843.928 14618427.92 20354089.35 8311685.786 538777.6737 110745.5466 L-Pipecolic acid 275865619.2 181971840.8 531000284 167873894.3 412502879.3 212050837 301717653.8 301739504.2 173113472.3 174763352.1 225246563.8 110990923.5 107401426.8 139080086 438514089 55565456.89 53796224.81 194190461.7 N-Acetylglutamine 3738631.287 3825117.563 3292675.75 4006307.295 5355669.346 5262746.33 2611872.805 3716079.572 2981176.136 5218212.75 4835601.317 5537508.404 3231616.076 3884738.836 2661778.039 4110631.167 3897986.602 7022065.048 L-Norleucine 1105173545 877435400.6 1104639304 866849792.2 2052793265 782396359.2 1158944565 942770700.5 1032145291 1570473749 1336295395 1047792512 626666099.5 675607736.8 604541332.9 896184037.3 682672913.1 1047932698 trans-10-Heptadecenoic acid 2836037.064 1439535.254 2458713.371 7861924.585 9105574.63 9720753.489 2710185.519 2120949.832 1971023.135 8533496.014 8717673.24 10320803.51 1247908.769 2434398.218 1964611.959 10301273.5 10066662.37 6787280.86 cis-11-Eicosenoic acid 453898797.5 520999199.5 368864156.9 349274670.2 304647473.5 413237186.3 444210409.2 396786596.5 435196314.6 362444262.9 394226340.1 360255659.5 396876329.1 477586932.1 375628131 370155149.8 458387559 386043595.6 alpha-Linolenic acid 517060524.4 415740860.7 459286872.2 689767960.8 713644583.7 806810574.6 622360627.1 582787183.5 368790492.6 803464708.6 350487521.2 960132391.5 464933876.4 341967502.5 413717510.8 934209053.7 1005613322 1020452740 cis-13,16-Docosadienoic acid 1474434.687 558175.1813 1751105.233 1809331.457 2591962.932 2063436.957 1402691.77 475775.6212 473970.0848 1115943.154 987843.4028 979927.4435 488976.5917 1220483.87 357901.4127 1131953.898 598401.0561 1836027.898 cis-5,8,11,14,17-Eicosapentaenoic acid 1634055.809 4833660.635 2720160.474 304221.4309 113871.8599 1030247.559 2828668.465 5060938.337 3822380.514 384127.727 407646.1985 341141.8772 5878255.867 4026861.882 1966805.734 294553.1659 355969.3599 69825.72026 12-hydroxystearic acid 557333315.9 473120549.2 411648970.9 566255421.8 513754388.6 520683668.5 528868371 384403928.7 489531059 526725997.1 596958122.6 452647070 487041525.6 449700068.6 399425723.9 501244950.8 562693600.1 498072255.9 Ricinoleic acid 34948609.74 27106168.33 44147666.88 8068224.25 2429473.344 9650014.115 66841788.57 75739398.29 67005820.82 2940051.792 4345860.841 22409108.18 68615660.52 43685661.49 46193218.51 2079453.135 5533797.439 6666861.474 Indoleacrylic acid 177179522.9 140297354.6 225612376.8 55065070.71 60736342.72 30814382.93 153050029.5 181424083.4 137838472.2 97126198.97 78987284.62 62587777.21 112059911.9 108437731.7 184100713.6 92664580.97 56308281.59 50862630.79 Indolelactic acid 2633351363 2131810920 3145135645 831496105.8 892786623.9 508568483.3 2276194402 2679364877 2113607424 1492263133 1182760447 943103623 1737881247 1650154680 2699259342 1315838662 890702282.7 754141598.5 N'-Formylkynurenine 114569528.9 75605568.54 151513379.4 11499228.39 10013237.25 12601393.97 88131330.64 104322161.7 77423299.21 12930577.4 16298922.39 12143481.91 53639986.01 70586869.22 129925442.5 17216348.2 22022864.43 15368025.24 Cinnamic acid 109808297 68642189.87 132997821 41617377.02 28685922.69 46101903.17 64913856.18 70889356.98 77086153.91 28823290.28 45645060.08 38496712.47 72821339.52 116257777.5 66937920.02 28887508.28 41822074.51 33024866.17 Phthalic acid 64944204.16 64142485.83 62609596.02 58335250.81 47827864.15 59338300.82 39524485.36 90296251.81 84803956.06 43803728.57 57077831.97 34580000.71 70847067.65 68913296.4 61667072.13 43928100.89 50191719.49 45123025.99 3-(4-Hydroxyphenyl)propionic acid 793088276.3 430282476.3 1281693065 918413524.8 483301008.9 463777979.4 657662843.5 849572241.9 506641454.8 499707113.8 1044237503 103059877.6 458922904.4 628517385 2089374032 447072071.9 2490040539 2365890378 cis-11,14-Eicosadienoic acid 40701163.64 43605788.75 30970350.28 27851575.97 30272987.12 32956554.73 31447170.49 29515978.06 37202210.05 32743083.87 31469829.05 28384407.41 32319855.66 37103537.73 31389499.86 25482677.48 30484317.45 23886146.32 3-hydroxydecanoate 17369574.21 9861779.972 10981811.95 36872445.47 38268149.61 48247474.88 17572986.34 15009394.69 7702062.559 31425523.12 23504727.85 18218968.25 6600179.98 6913603.26 12388869.97 42689439.92 36502480.28 35155563.76 3-hydroxylaurate 70947556.78 95894986.58 65558258.15 52710623.69 66644355.2 88884935.72 124981757.3 74918428.93 112374668.5 66334537.17 45692343.65 31459443.37 95845930.19 75331746.84 64692579.42 52416628.77 36556552.47 43197483.19 guanidinosuccinate 621271.4186 505599.8754 790440.9819 20993.94292 538193.592 598294.3653 653058.9402 908677.4688 769150.9008 1149134.473 552384.7831 597644.0199 768948.3314 920877.9508 1188983.412 626406.6301 1192301.837 777336.0072 homoarginine 5320625.352 3975123.924 6931707.772 8316982.813 5278802.77 4735744.841 6554032.163 6058555.1 5148342.056 4924503.416 6067354.968 8368927.439 5664546.812 7269758.801 6728112.692 5320942.509 7985174.347 11560245.64 methionine sulfoxide 18077549.63 17412060.15 14558321.08 20270299.53 16654619.84 17251448.42 27201278.55 12042486.05 24668378.74 16581543.9 21194729.17 16100621.36 10499317.55 17310730.61 15028770.95 18115804.22 14155734.67 13066779.39 N-acetylarginine 38200627.77 41258272.93 37788430.53 1466004.424 1270302.184 1727995.189 17645991.82 33683087.75 95704686.36 1977962.418 4796631.334 4142063.179 38980092.58 41288038.79 36828018.94 788687.5612 3493600.776 24099991.38 trans-urocanate 3505015.637 3022024.546 3761021.211 20279710.97 15553321.62 37776752.83 4981574.059 9613041.94 5481832.692 13405966.45 28042091.15 12411625.91 4758952.352 5703518.412 6265408.163 31416164.64 22128733.07 13156794.13 Gama-glutamylalanine 22270054.03 23305493.47 17350737.37 14203782.5 14067468.97 16443400.96 12288158.84 13557118.34 22341942.41 16700025.44 19604271.75 15839506.45 8726019.887 23633080.44 16341820.11 14269004.6 10316138.32 11239456 gamma-Glutamylphenylalanine 53722317.37 44595820.77 46974012.52 47365758.7 34639522.58 34367277.98 29567699.87 31906194.76 43298457.24 40247329.04 67565289.95 34052777.39 22048310.9 39588707.66 31157495.34 34124263.23 27385361.74 27183879.12 N-Alpha-acetyllysine 35359915.78 33524206.21 35525032.33 19845572.41 15943964.35 22668491.91 23717311.49 24105539.11 30996789.94 21687123.3 30229868.51 21523915.23 22954403 24837508.73 15117642.01 15193978.06 12155043.66 17376351.37 Asymmetric dimethylarginine 31276272.86 19219483.48 30541112.9 22445177.39 14899408.22 14306784.74 24515164.16 28244476.99 22105914.47 14575871.19 21546583.33 15280855.73 20160576.38 32647767.51 22306089.07 12504947.72 19649461.99 23029689.58 Caffeate 22669860.87 71470424.44 68838652.92 59404930.08 57481730.41 71867631.42 77700752.49 81824020.34 89711144.27 56666028.43 54199201.18 96647386.32 73864942.67 68174429.33 82568590.9 73216782.18 77576797.61 60576140.87 2-Pyrocatechuic acid 1056152.463 1162117.913 1585275.341 21595898.97 26181812.66 26346605.25 1325884.648 1310213.416 87426.51524 17177414.84 29376692.65 2479397.662 1394231.301 208909.4785 209418.4194 34036578.98 29861806.99 31855403.68 trans-Ferulic acid 343392849.5 247529315.1 283371693.1 51975846.08 54290514.35 33772473.52 356085065.5 244497903.5 262554247.8 34688382.09 96306259.16 44174528.1 302865028.1 356884741 186760523.9 58667946.37 54485228.61 40517743.38 3-(2-Hydroxyphenyl)propanoic acid 27100094.58 23176370.05 26181301.05 29358229.57 20977445.82 21126860.96 28061054.13 24525656.37 30571272.32 22920824.57 25231465.92 21205662.06 21289976.06 24800873.68 22480177.2 27106663.6 18727842.76 19635144.01 trans-10-Nonadecenoic acid(C19-1T) 7441776.607 7170109.667 6126459.119 5830654.374 5848280.07 6901610.825 6086872.364 5314277.688 5852707.144 7273804.162 6691045.725 6251924.939 5253037.823 6969901.529 5807556.148 5940007.282 6446427.949 5709354.996 Petroselaidic acid(C18-1T) 2179396181 2736918770 2170104659 2406930186 2603074541 2916115339 2401066002 2318696099 2483827656 2518208351 2677986171 2360538564 2444602378 2019943814 2230192112 2395052971 2625459030 2269823938 p-Cresol 25510867.88 31979990.85 40076897.48 22639257.05 19589640.85 22957564.65 22301200.16 37071975.34 25535592.95 19793562.65 19092010.59 10131336.71 51464331.79 55302959.15 31049202.9 23469613.95 21273312.38 18708979.41 5'-Methylthioadenosine 9528894.368 15160412.97 16004931.66 15597686.71 19355078.85 18865533.86 12768028.89 16685154.36 7650047.548 14089316.71 19191738.86 20705859.91 14194417.91 8121346.091 10027510.81 29481378.56 24771232.06 22549342.21 gamma-glutamylglutamate 7861722.295 8410880.919 8815756.724 25113821.37 11917253.48 12901656.08 16004323.09 10687426.1 8306839.931 12506862.29 17605925.76 12343347.9 6768903.463 13083929.71 9349874.613 11769931.32 24465112.67 9432685.159 N1-methyladenosine 25581156.14 15521945.01 22698102.39 6303163.969 3389001.825 3560860.228 16222720.63 28401876.8 17501855.51 4476594.302 5321066.42 5327534.917 24373883.38 19036861.11 19248707.19 3604670.971 5324960.758 6064441.499 pseudouridine 7835341.454 8396851.482 7845223.841 26226656.62 23530382.28 24264048.75 10675953.92 7840442.01 10327070.85 24997809.42 52693147.42 21096107.59 5059133.343 6418259.176 8377894.508 20805996.49 20888637.62 21968384.64 3-Methoxyanthranilate 10653809.09 9035896.651 8856995.627 21020259.22 22780674.81 19561883.05 12171166.57 9832881.405 9677080.696 16116550.76 22250289.34 18588446.54 10447155 11564752.71 9507987.666 18937475.48 16019237.53 19007858.43 Methyl dihydrojasmonate 350238120 268487334 322499577.1 13240347.68 14335616.63 17380579.97 454101278.3 359678732.4 499775307.9 17519720.96 12870161.56 8946784.628 378923597.8 448176575.3 401458905 18262764.52 13748932.65 20399889.87 Aspartylphenylalanine 20806428.66 18306743.85 20842981.08 26080270.6 23209790.3 22910802.44 11482895.2 13397901.27 19403154.08 23146978.62 40355427.21 17308292.74 8188102.496 15364890.68 11743259.52 16765356.02 12658215.23 13680893.49 Panthenol 9879328.526 11932700.39 14085118.11 118777982.8 49459953.21 186271380.9 7873009.277 16213969.11 7570325.31 111451746.8 178981909.1 86408815.94 13182284.05 5066292.366 11458050.54 141127016.4 83998618.53 58460948.68 Oleamide 308283075 335546874.7 248889909.1 228769972 197969587.3 229254321.5 255489418.7 253429239.3 287441110.2 230902930.6 231466626.6 181436272.5 215316015.5 333589862.6 256259049.1 197573779.4 249994581.2 210124438.1 Linoleic acid amide 11045398241 12709948840 9851797521 10402197328 14241677604 15289786776 12766782138 9900812134 12508268166 15256442758 11489222588 12855722391 12169737074 11008760627 9729636469 13576651943 10567441055 10657890888 Calcidiol 780218.8298 699402.7639 590443.7569 1880805.009 3364195.341 5161054.32 508636.5725 430153.7898 907846.3824 11352874.35 4395078.845 16022271.14 317570.4138 490672.2183 165002.4568 8932188.608 5152879.735 5265894.046 5-Methoxyuridine 1555389.607 2408270.979 1924596.343 3007955.502 7734417.944 5777039.458 1878231.328 1625080.272 1583730.438 7378256.5 6954744.024 4213151.264 2196994.919 2047435.17 1709133.007 5806400.97 4614552.346 6928804.111 3,4-Dimethoxyphenylacetic acid 530791.5988 329880.3593 688692.5723 324739.2492 273003.32 231245.8098 576477.8239 514813.3192 720012.2704 667126.8015 438495.8486 59715.37805 685441.08 374955.6317 585531.4474 105701.0323 334513.2745 532344.4076 L-Theanine 26244902.01 9668645.114 40025529.31 22521341.13 5795258.712 18775834.37 10492681.86 32084831.2 14116884.43 4200419.882 9423489.492 7005676.374 15095539.24 12000618.58 13745796.2 4876983.879 14176089.25 15402335.49 L-Leucyl-L-Valine 653588315.9 581543470.1 525228376.9 612304704 415001655.6 513523763.8 287292300.2 317300708.4 527724032.1 515879279 771005161.5 379932290.2 271145841.9 389085609.1 250340020.2 336156881.2 261522462.9 301383183.9 5-oxoproline 131954204.1 148155255.7 133296170.6 432334261 156591840.4 205925497.1 145528945.3 167762362.1 169482463.2 76171316.4 152403309.9 175117063.6 184265130.4 145018274.7 135017482.5 182645232.5 243090622.2 133700310.9 Phenylpropiolic acid 41414487.75 32380617.27 40891847.81 7090188.753 5307124.743 6407589.569 38614546.32 38411997.6 58743352.25 6057011.126 8964145.329 4815282.244 37762698.97 56362423.58 38971986.69 6824282.731 7653240.106 5614737.259 Prolylhydroxyproline 1905655.261 1928757.414 1647927.413 1880861.925 2200159.391 3305319.43 1266775.285 1219987.389 1723229.108 2708345.479 3750786.87 2562508.319 1026145.064 1357190.313 832690.6311 1946748.826 1978642.951 766796.4096 Phenylalanylvaline 230131066.6 200751719.8 190432498.9 207747610.9 133875125.1 151119085 97300245.89 105585798.3 188193450.1 141643025 257112310.7 118937216.8 79871938.2 134600354.2 89357603.38 93645832.44 88422590.92 95142508.93 Methyl Nicotinate 6290556.571 2827720.955 4975818.92 638836420.2 935395902.7 699612315.9 1753483.116 7350775.954 5836257.327 514443463 676383944.4 494564670.6 7726174.498 6180670.563 8617059.592 639310960.3 886267496.3 905957748.6 Indole-3-carboxaldehyde 391812861.6 313724580.6 488671824.4 115525652.2 132931503.3 73391046.87 341786786.7 451578788.3 314293901.8 203066518.2 171225119.7 175827361.3 255936097.5 261099640.1 417300197.5 200061005.1 132386364.5 117192758 D-Pinitol 122165604.9 43534176.91 40661099.1 2299360815 1134423661 1376675158 95809892.55 38503790.6 252792725.9 1006388971 1754272452 1314639891 35732732.2 30440194.71 38947189.38 908701730.8 988891151.3 790996977 3,4-Dihydroxyhydrocinnamic acid 2118178.549 1404544.12 2660765.952 8046917.814 8699687.14 13525407.53 2421812.268 1674801.848 5535924.461 28327974.78 27327827.96 14656368.13 1651286.064 2140042.786 2559065.78 48758313.57 56305121.21 24581170.8 Xanthurenic acid 23451791.52 15999064.27 18687755.36 4726866.581 4422120.891 4103200.343 17336136.78 22108221.57 25872494.34 4473753.45 5698833.893 5037399.284 21806713.13 24395784.4 22966869.99 6889024.647 5641144.773 6103466.655 3-Methylindole 104415670.5 79660165.9 120510533.4 42306866.35 38327683.65 23489293.79 88790645.32 107026888.6 79803947.73 59637678.6 50726603.48 38230397.07 65674828.56 65097718.15 104726855.9 60288318.84 51782157.03 33049955.39 Nicotinamide 202473770.2 326362195.3 357305700 82215155.97 48925509.43 38878849.73 350106550.3 669303026.8 271542933.8 30774313.67 34460929 80584231.88 694771736.8 569668307.7 438532189 72141321.42 124274853.8 105763410.2 oleoyl ethanolamide 4123999.784 4575446.7 10845974.46 5249708.02 4355590.591 5292218.545 4586595.357 8103528.057 15646228 6354338.966 3396707.535 3924895.197 2676010.391 4354141.318 6876861.833 5594636.445 3820612.994 4712463.037 Picolinic acid 290739560.3 272878962.8 254127232.9 238504709.3 220162864 249350791.1 256725887.4 249527994.1 305849487.5 181498666.4 261294754.4 217483514.7 264509277.6 320366341.9 239426191.6 226152996.7 216895554.3 119263736.2 Spermidine 14138774.53 17406312.54 18358625.36 3828525.893 4135810.725 1702133.336 13420431.27 23118177.42 14311001.34 2130711.215 3178182.551 4337252.083 16458444 17165152.56 18347469.23 2963070.373 4866595.755 6084187.496 Myristoleic acid 25521639.12 35358214.53 25434474.42 30323477.81 31550429.04 34381824.81 29918192.58 26841682.39 30354014.41 31761046.97 36114758.38 30014618.27 30124721.58 24096140.8 27376326.93 26935589.98 33412650.16 26713633.6 Glucosamine 65408728.72 66413310.11 70277625.68 37611558.23 58134076.65 35438163.37 75062291.67 73034389.36 60295789.9 32378122.33 36837988.24 32578331.72 80272738.93 74449521.31 77195438.86 46871200.55 30321897.8 30177938.08 2-Methylpentanedioic acid 1237658.159 2527313.434 2169647.351 1257728.335 2550467.016 7478675.73 2124562.022 3763441.34 1419471.433 4274949.635 589655.6168 1887559.594 1505005.885 2437515.568 2379182.795 2556260.941 5269989.538 1766646.499 L-Leucine 154186542.4 165105399.2 191365892.7 133348107.7 564889781.6 140598909.1 245137236.7 204231346.4 160765034.9 300329205.3 142535492 185468772.5 130913054.8 119263603.3 154294481.5 129424102 139151425.2 185097294.9 L-Phenylalanine 1291585085 1064695357 1291260538 899713163.7 839026564.2 872993570.7 1343815239 1149815131 1505741391 982365724.5 1022924967 861668406.9 911107343.1 1113818670 1040014863 649198079.1 602897228.8 745981123.3 L-Glutamic acid 247275759.5 330096042.9 295412686.8 252334263.1 248136798.6 218511145.1 274384203.8 316709513.5 291506747.5 208139914.4 177871647.1 246349238 410794003.8 290948811.2 253791739.1 198238409 232153831.2 222263331.6 L-Proline 254336792.6 261774661.2 292613241 85302851.92 87820232.71 96417781.12 319083896.4 311972469.5 1295862377 110030372 114533106.8 95174912.56 314205902.1 264150515.4 202065203.6 90052079.75 66173863.42 69157467.33 Glycyl-L-leucine 102595127.6 102960563.3 87623552.69 78165663.26 71130076.76 88980425.37 60186790.76 60854957.88 80999636.26 92351835.48 98595771.55 68303233.47 60172780.07 64128493.14 42515070.06 57444088.75 44713857.86 59880202.99 L-Histidine 10749345.04 10841179.72 12943474.03 22221531.3 100339682.9 27491403.63 23114110.33 16757106.95 12371742.09 22932773.99 38564574.16 19501639.27 10537645.98 12733314.12 11095318.58 23505057.82 17171570.13 23585316.44 L-Threonine 26787590.09 32756429.93 35674631.79 40252188.53 71322484.28 58649278.05 37114463.99 27740324.73 62042629.48 44587842.68 60536665.33 38590518.06 29975238.03 67974035.39 61845140.51 55663519.71 47186600.79 42515555.46 L-Tryptophan 1519979858 1215822593 1803901748 446052788.4 470606844.3 271709963.7 1293575863 1573901500 1164882424 779832740.3 631369439.1 495592361.9 985947641.5 927545845.6 1588418835 702451098 481052966.3 407738445.8 Dimethylglycine 33428157.69 36335859.88 38023295.94 34342891.18 48339405.84 43999169.2 37059367.71 36660721.77 44882930.95 43699591.57 33641357.7 21215711.24 42172439.9 40632169.52 33195019.46 31560480.17 30690806.26 32103160.66 Tryptophol 42703544.49 26577612.75 28254701.75 16569526.75 16079794.34 17928580.97 35740267.91 37059059.86 33487720.36 21303993.19 23590578.93 17323859.28 29108075.91 35100028.82 20880260.59 25054384.2 18291503.91 15153168.21 Syringic acid 8792065.909 14868814.29 13087732.33 17580072.49 17839236.74 19195622.84 16244616.46 17591492.62 14971408.88 17508342.11 18164252.9 16291161.65 15610056.49 15063652.46 12553123.81 20235807.17 20496262.91 17470713.63 Serotonin 21874317.13 15654961.9 19581853.51 32383667.08 29234542.68 44035886.52 15823669.12 19103065.06 24394459.55 30786675.68 46361178.09 37224104.67 20977988.24 15399074.59 12286644.1 51738634.9 33031385.67 29530110.67 28-Homobrassinolide 10657961.48 2729250.236 11742366.57 13737024.09 29005632.72 32536243.81 17442454.67 6891883.365 5659889.138 24109566 18152484.59 27159072.98 4402617.772 6405126.727 6923631.214 30371571.98 18896556.37 28414255.79 4',5,7-Trimethoxyflavonol 1553339.186 732941.322 1006432.991 400028.4953 370723.6934 429114.7305 693359.1903 526041.901 906107.5977 391162.4397 1315057.659 320262.7597 382355.2882 809176.4021 615513.5463 520850.1208 2329743.347 340842.8592 Dehydroeburicoic acid monoacetate 72996812.42 77842369.18 64056920.09 2463770.891 2127106.807 1457552.262 78276944.1 71067708.47 78104794.48 1901330.161 2905112.071 1878166.698 72803330.38 79159996.58 75603568.54 2011883.853 4080267.842 5681190.422 Blinin 408169.8597 46037.4002 94137.62402 1450513.22 1318716.987 2125242.572 4113782.837 56007.21664 58183.74189 2666999.077 1646565.053 1002702.207 368277.0828 465817.6952 34278.98146 2069535.638 428769.336 622775.9339 Bergenin 1146971793 941195022.9 1052448419 92090023.01 103398248.6 74234698.75 1147687075 850540690.2 754995194.1 129259664.2 142715645.8 119558458.9 1075469440 841210627.4 976825132.7 124487137.6 159688985 105013125.2 Sphingosine (d17:1) 118985821.7 136715879.8 105902531.7 115937458.4 147970413.8 155079853.5 134416324.9 107519281 131260070.5 163897897.5 116920298.6 138761262.1 130227198 117653697.9 109745534.7 147020148.3 111406556.8 117743976.8 Mogroside IIe 3436228.347 9522416.492 6229212.884 72871.87981 932912.9923 1223176.535 4511973.71 11233706.14 4772450.312 1477936.323 59300.56123 90387.35082 21725279.48 10268566.87 5164999.542 67258.07402 1282603.55 173508.0193 Oligomycin A 83557908.43 130293610.3 153255163.8 22856652.84 400960.9201 19182137.11 77637051.29 176704158.6 172310289.3 18736366.12 20939013.32 14631056.15 189492859.2 279968979.3 146857400.7 31721503.94 14274601.87 17328453.51 Lumisterol 10401212.3 1897178.199 1353487.104 2306566.044 6633083.511 7631323.844 9661750.978 2071879.217 2111174.518 6057113.869 11340451.68 9581598.102 8928799.322 2509987.418 1303210.83 3224701.494 12392430.94 10335782.38 alpha-L-Rhamnose monohydrate 892946.0654 4889919.302 713875.9307 2636485.081 4794525.162 607938.9034 819182.4401 1046050.499 925633.3313 4317413.856 535408.577 5584368.843 1276094.616 4303497.369 562215.2285 549159.2935 4523062.629 2071417.569 Fraxetin 5884241.47 5932722.605 7232819.821 603518.9594 928711.9514 1081213.547 4532838.809 4313297.168 4686618.274 729039.7657 685837.9758 596170.8004 4452552.027 6095294.893 4161922.663 684535.9172 774042.738 416368.1381 Ginsenoside Rg6 1608848.696 453696.8973 3841692.907 1201698.578 947618.2691 1241042.392 1638826.148 3583974.025 746407.1441 1481472.767 1429939.582 95896.79069 4064461.614 3858753.497 4398545.68 322868.8759 1299877.354 461365.8035 Regaloside C 13625883.83 12639653.65 14149387.15 473525.8775 2378275.679 2331937.402 14720967.77 16447170.75 12659797.5 2156971.425 2787052.788 1535730.246 12910686.89 13262776.61 14564049.97 2427257.215 1295063.739 2057382.097 3-O-Acetyl-11-hydroxy-beta-boswellic acid 199406269.8 254886605 227872840.5 177912.1185 556554.4876 1547539.883 344445884.9 219114273.7 173174124.4 1092969.093 1072312.642 1269295.865 314044534 261504556.7 239631610.4 1399494.061 1051380.278 208948.153 beta-Amyrone 78562892.46 51554487.77 50004844.73 29164863.86 54238490.19 61668236.1 64360516.61 46009695.3 45845419.76 60406899.46 45737894.05 60878794.71 42991716.59 56758353.69 44378119.18 34445336.02 55729640.6 45595939.4 (E/Z)-Ginkgolic acid C17:2 15437403.08 14752970.29 20715306.88 2224277.542 1630633.1 4659903.086 101111537.7 15737070.43 13761383.89 2525992.371 3386492.118 434239.3797 19524515.17 16871292.14 35642858.76 4217177.523 2507926.564 3368164.549 Podecdysone B 6255200.152 6793614.726 7115796.717 1114376.648 654190.5632 640526.1998 5100965.235 7530019.093 5691337 501524.9277 328613.8149 1060505.377 12537799.05 7803651.365 4269742.091 1189916.463 749459.6856 1276474.348 Shionone 37789691.36 9369267.061 6179102.579 8646671.519 19795465.31 30423196.63 30397498.91 6568424.53 8333397.621 8544729.333 11472553.45 17815299.15 22489213.6 9430234.382 17263060.05 5269549.243 15763076.03 27455628.84 Xanthotoxol 2707644.14 525676.9748 514926.2565 30194333.74 16876209.95 24272607.61 6869325.113 58127.87082 2523389.567 16759472.76 10638571.29 24160209.08 1879906.462 1278583.213 3672258.084 19247271.75 29935240.38 25915946.54 L-Ascorbic acid 2-phosphate 26726980.44 42370477.3 23809428.38 2054731.817 2292986.392 2252860.434 31020857.86 30319819.72 39884432.7 1857595.367 2359892.732 2180089.941 50904649.42 34603057.96 18400566.79 2279380.697 1882447.237 1979620.543 AKBA 87604059.04 104217840.1 80398840.45 148914.6471 1354540.187 165301.0287 120995107.2 92350687.97 89979374.98 388397.4204 1224520.436 1269295.865 100640654.4 115719172.8 87075635.15 1399494.061 1051380.278 1528425.14 Fucosterol 73816980.12 82595456.76 126118069.8 177437630.1 118544612.6 132624724.2 64573541 118937509 118622371.2 146973792.1 110792650 97467425.72 46707124.66 165848022.7 116826047.8 222969877.6 167024086.1 184666890.8 Cholestenone 32676419.33 520785.3412 277866.5567 2426316.313 14677956.68 20942627.56 24219773.12 391238.9947 229775.2655 14150442.97 36683268.61 22117141.71 26272888.36 158603.0386 346102.0409 2158262.023 26331281.88 21581882.29 Malabaricone B 402559.5131 349673.4135 257784.6612 163578.7123 268989.0203 438571.6745 313761.4012 191037.4428 316545.5205 330209.8687 174591.2266 115399.1498 328938.134 227847.4246 231888.2017 148309.8414 197109.8876 457157.5401 Thalidomide-5-OH 1060856.172 926634.4765 168164.8124 1804898.22 4901632.236 3151137.489 118431.1992 1293736.721 979867.7812 4375842.645 7819998.589 4113557.584 1749698.495 1174032.53 73785.07079 8590959.324 6675272.208 10437985.59 4-Isopropylbenzyl alcohol 61289060.98 40252427.42 32526127.22 31244678.88 42552452.1 50775506.62 37572001.87 30998435.69 33672604.53 45750912.36 33526705.7 38648737.92 38979395.36 32122334.81 30830875.78 40434359.86 30497069.39 30748437.41 Pivagabine 921880.7957 639605.9018 129786.3563 927800.4842 1399736.976 1669094.732 961575.0422 315994.6342 538259.3453 1406919.315 954028.2421 1518511.917 1446172.846 549985.9608 496895.3829 1283656.64 945724.364 2385696.444 1-Naphthalenemethanol 51811648.92 57943648.8 56183929.49 20704328.85 24096166.3 27205024.44 56493514.1 127741880.4 50126476.91 24123578.11 25343536.11 444495.0823 126571344.6 54178908.58 53640228.6 28761013.4 23421053.03 28879939.99 Esculin 22397048.36 11092387.11 27524167.02 831079.1189 561924.9033 1418365.352 19857839.47 20323253.08 19904349.15 982583.4079 3329137.271 1455180.916 13693424.92 26281586.02 18719568.5 1731096.064 1673065.974 2084973.756 Muscarine 4558784.173 2018155.448 7634015.826 1180297.818 1619345.038 2856880.94 2257905.504 5133548.015 2657403.588 1878986.516 1560351.329 826004.4886 1032241.657 3368240.988 8976248.866 2001728.45 1144350.687 1558587.871 Ganoderenic acid B 107101.2164 668628.9927 173826.9011 762509.5751 932402.4937 1225539.51 1360792.888 211988.5752 286224.4492 1932114.168 1025272.233 7211990.629 416785.0104 317278.481 1260459.115 1517095.819 750687.5668 1744600.954 D-alpha-Tocopherylquinone 178440638.1 2070811803 1506887094 2411321745 301289889.3 479657700.8 461858180.7 1697280767 2201290402 1912233466 270763464.2 453315699.5 453444674.4 2400106277 2742202261 3009673494 262437526.4 406223778 Kukoamine B 89366693.13 195789237.1 146836817.9 30640310.95 22228691.31 34729983.15 110502294.5 254846769.3 84693655.7 24718229.11 20060691.33 36112823.4 176044164.3 106378605.9 92904873.78 40782409.51 39094861.19 38997857.6 Brassicasterol 6258973.057 2898611.536 4213970.087 12394056.72 11602301.09 10880290.35 6232845.552 4834925.56 3582716.836 18218006.41 14030654.44 10380838.68 4730214.647 6728642.958 3588507.257 15791495.77 13964792.95 15374312.64 Withanolide B 800293.5277 543558.3048 545960.1703 1453571.81 1974643.684 2055511.394 611319.9417 1268889.314 665825.4362 2296436.367 2098411.549 2228862.839 288586.8226 630369.5283 107090.1658 2523059.004 1814582.778 2311498.228 cis-7,10,13,16-Docosic acidtraenoic acid 20113425.98 21500461.21 7378056.328 1581118.129 1847543.964 2786845.728 18623343.49 13596978.68 23528896.63 1887495.039 1614037.121 2011872.795 26714732.74 14739174.43 2035906.557 1682736.049 1636188.43 1568448.866 cis-4,7,10,13,16-Docosapentaenoic acid 26541891.21 28604288.59 43038019.83 11197260.83 14382055.6 16431249.97 37360070.26 30477380.37 16660903.26 13364941.05 17902175.98 1620486.723 59614435.78 41281028.4 32518470.39 15088676.49 13354608.58 13447458.54 3,4-Dihydroxybenzeneacetic acid 4248062.2 3400611.186 4398061.663 260812.239 192564.1427 283359.5169 3745781.489 5752838.427 4107835.049 429503.583 436019.3501 1676414.695 4529688.875 4908416.527 3929423.338 340213.3504 455147.9222 235144.5946 3-hydroxy-3-methylglutarate 1837263.13 688371.8711 426795.8203 26341384.17 16901123.31 13151202.38 893773.5076 1002272.496 2278503.023 17501174.75 23801183.85 15679201.92 889275.5361 934245.7576 535317.9545 8069433.515 8064366.621 9219204.993 Cysteinylglycine 1242910.101 189300.4495 1079628.47 869483.0435 752547.7632 65774.99849 1825991.376 3947843.809 2228219.316 751818.5457 1265124.718 149135.3718 2885286.982 1418675.971 2123986.259 106916.0843 118502.7038 936802.9774 Brassidic acid 122761560 86538653.39 95952130.83 71657159.98 136531330.2 107622564.7 105424302.5 65528550.42 62053320.65 59105340.92 66706257.66 59001613.78 63108210.72 134124074.6 46807144.97 38698767.12 49551714.47 123458429.8 cis-11,14,17-Eicosatrienoic acid 52944047.08 48258677.8 41689042.02 723460.0748 650953.4168 5494684.977 59042916.82 55462390.66 60678826.08 824745.4526 1246049.864 137450.3721 109580002.7 117362434.7 30663998.08 252900.5539 601137.0846 627438.4213 Cyclic N-Acetyl-D-mannosamine 7551135.335 7466594.093 10499554.01 1161342706 1361419915 1460564298 7048144.104 4728485.69 4736047.512 824756626.2 1029911358 766801383.6 9064034.6 7339140.443 4380639.977 1384099585 1020641024 868195002.5 L-Histidine trimethylbetaine 19435674.47 14955791.97 19940872.59 19466620.26 17826367.71 13067273.03 12249351.84 19324033.47 17159189.71 21930880.01 22477072.22 10728819.1 23906538.19 19565418.66 13812690.06 13332715.86 20411065.74 23697819.63 2,5-Dihydroxybenzaldehyde 23480424.47 16623476.58 16390969.07 5841812.792 4099473.639 4010807.636 17114996.54 23711902.3 23800297.57 3731582.516 6091858.463 5014683.598 21410919.31 25555427.41 20656862.82 4174079.176 5303221.099 4872393.868 Questiomycin A 326565.1831 715822.6583 585316.5916 350763.3516 364679.9049 506283.0183 375130.374 543102.9168 962135.9508 305611.7806 413643.6702 329796.5087 560755.6615 721118.6218 296829.7794 453837.5891 358015.1166 382270.5691 Aminocaproic acid 87026061.76 50453680.99 67705138.03 97934002.97 170598281.7 232374017.9 62232901.44 94789883.19 81581489.83 75902088.3 226163028.7 223298403.5 45761056.38 93087107.89 104363284.3 186795206.1 124929768.8 112891925.3 Spermine 5766584.916 3916644.038 8126714.409 1072074.332 24347.3317 1078798.401 2310404.353 5049020.474 3564959.089 888223.8382 1247956.678 1118507.467 2986010.959 3388721.254 3069556.629 613829.3952 99927.92681 91891.90062 Tetraethylene glycol monododecyl ether 1824269.35 1405792.297 2130917.746 3122851.193 3451701.03 4681771.645 1754534.374 1889487.941 1607069.154 2450885.037 4424982.489 3983471.535 1710392.091 1197380.455 1947358.801 2616566.269 1609624.231 1950083.255 Octadecylamine 99305695.01 114313089.6 81314971.75 68028850.29 96906959.12 121411943.8 104403194.6 67048205.19 67992026.2 110323579.3 83974399.67 110482328.6 120119956 80264240.43 56857370.32 97764237.87 74928934.55 100312299.7 Lauroyl diethanolamide 6324743.445 4409182.634 6774280.33 12580553.68 9806670.154 20467785.07 5417880.571 9035336.428 3463667.584 9812973.269 20383562.01 12140481.89 6956676.754 2877609.816 3744011.742 12543737.73 6243952.55 9282677.556 1-Nitrosopiperazine 1408730.987 2270691.389 2152922.591 4318377.205 2921672.389 2488389.199 1082292.378 2251899.22 1745088.582 2796072.273 5161164.564 3717770.415 1187613.451 1880722.082 608330.8655 1834418.848 3139239.482 5452715.502 Xylometazoline 3089392.999 3027149.695 6523558.17 2536333.463 3444899.289 4251865.625 1795841.025 686002.836 1696232.402 3168930.487 5414408.42 3473137.094 655380.6494 1794343.523 979153.6485 2988592.733 1284064.062 2306716.018 2-[(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoxy]propane-1,3-diol 1050437.288 1414135.332 75649.80039 8843664.862 8274810.578 10097166.68 1747565.426 1043047.841 1297674.966 8615880.28 9558773.808 5868270.532 1925585.635 1714433.862 1180216.572 8817149.506 3095624.39 4115044.487 (6E,10E)-2,6,10-Trimethyldodeca-2,6,10-triene 3726330.956 6031180.547 4763908.918 2522081.002 3446087.921 2394610.095 3017374.959 8285633.167 3889254.299 2862044.148 3364746.37 2005164.957 8841211.341 7656950.759 6430704.487 2757990.529 2728556.192 3697302.487 1,4-Dithiane-2,5-diol 4132058.974 4117349.992 3528447.482 2114936.259 2630729.364 2531833.542 3679437.534 4064339.633 4009468.548 2168830.149 2216389.14 2711420.962 4458953.986 3977783.348 3497010.879 2725866.089 2528205.985 2342705.997 Hex-trans-3-en-1-ol 340525.0746 2266087.364 1597021.401 1060418.21 450378.0028 554994.4493 779086.5952 954813.2189 892632.8784 946806.6392 1112935.275 69870.65788 698149.7989 1365409.194 1292169.831 990290.442 535295.7919 48621.71361 Hydroxyprolyl-Arginine 1788514.851 1167854.786 1311506.04 890430.7139 398730.401 468706.2763 976472.6066 622462.1701 1520320.227 442826.5172 1139559.126 756029.6963 1306083.628 1280821.22 911154.2348 545503.2567 387494.1966 404179.5039 1h,8h-Pyrano[3,4-c]pyran-1,8-dione 1230497.071 1467447.745 1546827.753 31750051.21 36612514.78 38745521.58 109091.4591 1534310.838 81587.15361 31582140.32 33783000.9 33822588.62 1648791.9 1546260.434 1100986.107 47137327.04 26904873.45 35309450.5 Serylglutamine 5157309.955 5386543.711 3901621.145 5558625.775 4763663.952 6416673.007 4154653.882 2353680.224 4876471.221 5421345.727 6712863.063 5553749.782 3088821.65 4070735.405 2672159.245 4552848.373 3838812.523 4186414.244 Kinetensin 1-3 12970560.32 9327313.231 10041791.02 13312907.93 10113866.15 18762819.12 8590148.29 4921952.119 14217085.61 10334506.67 14120522.13 11154742.8 6736409.346 9960734.626 5965707.395 8350802.096 15216264.86 8175160.764 SM(d18:0/16:1(9Z)) 3101531.177 171404.396 40972184.65 30868854.98 2976170.578 1800488.768 5476970.892 2744386.355 8043393.917 12111751.31 6971475.74 3828854.392 1798697.975 189185.5497 5288834.311 5355448.922 12295193.18 8543153.851 L-Proline, 1-(1-L-leucyl-L-prolyl)- 46906563.49 44651105.59 41651285.34 23886574.33 14705773.03 22353583.73 27187328.56 27273724.49 40378167.96 24484664.46 26902137.4 34626365.26 33313318.29 36452223.26 20780287.4 16928607.84 11414244.5 14163121.5 (8E,15E)-1,8,15-Heptadecatriene-11,13-diyne 42739541.92 48800288.93 42979165.73 29959430.77 29224753.63 25918431.37 36175659.06 58645139.4 35008247.49 27017628.92 34867319.03 735320.3651 36798211.68 31696392.8 39644334.78 31931803.14 27588663.95 32527107.99 LysoPC(18:2(9Z,12Z)/0:0) 12091235.29 24514900.48 5684117.729 1793327.337 2201517.077 2506836.237 15137003.5 7566620.866 12913708.48 2580763.113 2571658.459 3757841.844 11481865.12 6896883.693 17307120.41 6678155.43 2511351.041 3001268.991 (+/-)-2-Phenyl-4-methyl-2-hexenal 61740831.37 32865131.9 70769172.37 124371841.9 111788940.6 151812495.2 19681813.31 83606165.08 31397705.88 72188539.29 69287555.7 72861684.77 37466655.23 31814954.76 63843562 66701268.48 95618031.72 125906392.8 Apocarotenal 194478940.4 239712973.1 192037239.1 13352684.41 11055472.79 8935845.323 208136125.4 213439272.7 196433044.6 9518962.973 13205333.43 7613078.306 272844080.8 242665085.9 262321452.8 16789294.9 8425941.394 4565079.488 Valylproline 96006499.54 64675339.73 67161506.96 58286865.13 43405435.94 80218416.24 49386107.15 47627368.88 69782414.37 71623757.84 80154962.97 108004361.9 44839893.75 57565276.59 34820873.56 50519035.6 33164118.7 39412483.24 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid 70179.54596 1264653.426 115415.504 7992243.411 7948682.771 7448298.614 117567.7642 1765177.707 1201503.155 6358088.231 2393906.968 9040204.728 2061883.098 1840053.677 1186504.497 7887029.763 17447588.39 11056144.49 Threonylhydroxyproline 9105089.419 8512054.728 9585235.711 10826171.47 11543360.62 11885886.19 6955408.302 6898894.79 9197053.382 12909064.77 16635886.62 12964320.79 5686961.564 8922080.72 5797788.223 10958294.47 8532102.51 10071940.02 2-(1-Propenyl)-delta1-piperideine 1644647.052 1708898.265 1543507.351 1865146.245 1643066.725 1935372.223 1532705.01 1420059.376 1669468.411 1658625.069 1936221.541 1357554.724 1500356.255 1585060.32 1541501.72 1618265.227 1823841.371 1463159.942 MG(0:0/i-15:0/0:0) 10360127.74 9867430.57 7474023.56 7042678.023 7011475.446 8236197.257 6818021.317 9540842.74 6242366.286 6168395.197 8373023.608 6124473.269 10946254.87 8205498.202 7422452.692 7922274.283 6859560.959 5875882.575 2-Gonen 11462731.32 6922121.506 10069711.89 23686486.71 21735394.72 20537525.27 17239371.68 16187249.72 9845633.125 19419562.41 20729598.44 26478448.97 12845590.38 8724313.588 10980215.12 26038480.44 32543824.71 31121447.65 Serylvaline 33849307.23 29845605.2 24422025.4 31775080.37 27470243.15 33050535.36 21118661.89 17663263.95 29097235.6 29926111.33 44683174.92 24425490.62 21843053.2 22542470.33 11693825.02 23083077.35 20945413.77 22356533.54 Drometrizole 9152739.98 6364352.842 7957788.216 2003369.516 123842.5229 1411925.626 8796717.692 14842497.05 7094239.603 1500724.783 2043969.936 1876655.477 19899121.21 14603102.06 8917196.565 1512551.494 3620064.39 5545830.675 Glutaminylasparagine 2843615.153 2210947.837 3203416.687 12476744.62 7426850.737 10906582.96 3167607.408 2139032.057 3154879.136 13109978.54 8822831.442 12789196.19 2689078.87 3924236.539 2544034.606 9327956.871 7235633.375 13832414.07 Food orange 7 967053806.8 1148688883 888713431.1 515525.463 2520615.875 2964183.907 1133964794 997328729.8 989408811.4 2008001.789 1249375.397 1935265.094 1127362207 1092534065 1006125896 2167108.276 1166196.423 318868.0235 Creatine glutamate 1355606.509 3933450.656 8122982.896 5924925.102 7982587.894 5990545.652 2072193.326 1181302.126 924515.6572 5252982.036 8347191.74 9358968.343 2028167.801 3475495.615 4361028.085 4864433.262 7735652.821 11245468.69 4'-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone 2902120.701 1271071.785 2930777.86 558238.7525 281079.7674 310962.8302 1462810.272 3332571.751 3462789.986 630065.8546 217319.7338 478260.7214 2197522.81 2906447.914 1900351.582 497268.5417 739681.5632 663851.4291 Lysylserine 1990025.012 1953873.717 1719955.219 1584812.918 1686192.748 1948667.282 1316858.13 1195154.413 1484558.637 1800366.728 2127639.476 1588517.212 895758.8356 1218602.403 818335.7596 1143377.597 1172600.527 1646995.706 10'-Apo-beta-carotenal 76992615.04 83526699.47 85195078.6 2156335.948 791507.678 759860.8726 85950541.94 80269468.78 78161758.3 1084352.275 1945617.98 1176319.217 80170363.63 93195219.42 95376967.4 617058.0121 278663.4694 747812.9514 9-Octadecen-1-amine 1929377.996 3077589.142 1967012.261 625318.0457 816762.3568 400639.5216 1048765.627 1468898.566 1511088.332 847856.6019 1683156.169 1858043.612 908423.7263 2140268.925 1293598.851 386390.5083 1785452.661 834137.6891 Geranylcitronellol 69412191.41 61860541.47 58759988.24 2350223.2 1716674.397 2049718.998 116028478.1 106921400.2 80059794.69 1126656.208 1981665.89 2105680.577 104469987.3 61438169.44 47027442.45 1940657.134 3882361.051 6961112.48 Glutaminylhydroxyproline 439822.1214 225648.0173 1164821.223 1823146.709 2748373.956 2075716.695 453915.6902 503732.0904 272261.3054 2679823.298 4009664.458 2033449.83 322788.7263 352528.2444 371486.0432 1752894.203 2519729.545 5396952.195 6,8-Tricosanedione 1845718.065 1071201.684 1264032.083 1385215.659 1874733.805 2636548.938 857039.578 2022556.816 1712551.785 1634590.89 2301384.918 1884257.633 2875662.842 1618019.193 2026967.126 1783821.808 1809182.5 1432213.887 13-Heptadecyn-1-ol 2190351.23 2959040.412 1735420.603 1857541.107 1396016.134 1289484.12 2310941.533 1153641.248 1637219.438 1745625.415 1422294.083 910833.0778 1764337.354 1555193.979 1317427.466 2208097.115 1958949.223 1504116.465 Isoleucyl-Threonine 126938887.7 65102882.63 54307088.82 149375519.5 64654805.62 85072981.85 34226872.85 29183531.08 109309798.9 83318516.15 116012139.4 74381846.82 81949830.48 100672732.4 47262602.69 52796614.83 45864260.68 55405652.91 cis-Linoleic acid 4334833.647 3282209.56 5417496.852 11798387.76 6472344.354 8277928.022 5534753.068 7491359.186 3638128.139 6559122.18 4990742.779 15068471.98 2622006.42 3725399.281 4725767.833 7563001.262 6974484.441 8151789.967 Hydroxyprolyl-Valine 1060038.507 1731642.368 1677186.852 6445884.929 17363273.38 11479754.09 1117282.528 643785.7159 1337192.1 9581171.373 19298939.8 5577013.784 1563612.619 2158446.495 866838.4287 8651651.277 5183635.244 12073320.43 Asparaginylasparagine 273633.9778 6128970.181 21696639.27 896370.7175 2227050.461 1361769.725 1931832.27 2301924.284 180380.5324 836524.4665 1834900.251 1055502.192 778845.9904 4790459.483 18426329.35 370591.6345 1154242.938 2432523.726 CPA(18:1(11Z)/0:0) 6674247.025 2221353.722 3323768.145 4073459.609 5170594.156 10639316.47 3527477.597 2631946.291 3044791.044 5520932.296 1923179.506 7389783.064 2277287.867 2583367.282 3055132.951 6878011.003 3201956.669 8877591.774 Nigellicine 1926100.542 1075383.273 2573456.478 2452228.886 1841805.892 3402614.379 1969048.088 2692825.885 3989750.96 2126519.579 4383351.844 2807469.311 2105872.573 1579180.63 834964.6945 5261997.229 2981194.159 2392464.236 L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid 533788443.4 236869266.4 574542165.2 9823387.326 10108482.18 11013277.76 586317399.5 311846509.5 449708471.2 12359612.04 11189106.06 18038878.48 407876766 328955753.4 492693036.3 5403627.494 28420626.9 28911820.28 2,5-Bis(acetylamino)pentanoic acid 9041779.403 7999471.583 8138293.436 6038651.697 4136909.702 6813199.66 6302454.002 6869398.403 8593643.129 5620288.881 8000382.042 8089045.149 6677031.328 7647825.377 4036430.629 5056120.883 3503525.479 3496485.571 4'-O-Methylglucoliquiritigenin 2340968.011 479362.0363 1692585.957 13378919.16 5631126.072 3108520.365 651522.9458 1178158.403 585261.9618 2692250.526 6125275.782 9798724.387 709669.8762 1643536.3 1372646.794 2695448.314 4396328.876 2548765.194 (6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid 8969050.482 20126773.4 10695818.6 8379606.658 8877642.594 9903681.48 10039509.03 14243346.04 10908657 9177963.872 8338939.073 5134768.238 12270161.02 10864239.74 11344738.75 7379959.355 5214310.305 4551527.654 Labienoxime 41395325.31 48369372.79 36816914.72 37858589 50293047.55 53205336.17 45798212.8 33760898.49 43865201.92 52452079.79 41011042.68 46323156.04 41699594.1 41321815.42 36019471.01 49306052.56 39558510.92 39993613.86 Lysylproline 10828546.79 12624872.84 11497162.12 4160251.916 3641663.576 5171780.978 8073894.869 8421755.434 11952237.19 5089029.73 6053479.107 7299545.116 9603807.395 11874670.71 5915424.414 4866464.549 4088845.383 5065993.378 2-Aminopropane-1,3-dithiol 2275938.383 2485254.639 2323254.691 1127396.265 1232473.442 1339669.94 1921069.376 2309361.696 2356368.099 1173501.571 1219194.935 1146045.751 2247582.801 2228978.114 1758664.292 1326995.153 1215476.818 1122262.911 Prolyl-Gamma-glutamate 4870009.43 4140641.662 3787391.041 2013410.789 2600424.651 3326017.244 2897237.501 2364030.654 4292217.863 2890799.961 3360985.729 3847994.675 2797192.15 3932278.789 1915055.378 2484368.11 1290372.005 2292495.287 Hypusine 4002982.257 2977008.032 3070826.533 958785.5643 759224.9978 825137.9198 3260025.347 3462886.963 3904545.114 798907.543 1481951.13 1432291.811 3672878.846 4855151.227 3289826.386 746654.06 1633822.299 2155335.459 8-Azahypoxanthine 621503.2417 408381.7849 506706.5361 328307.7831 198900.333 308458.9911 438804.6472 718844.7655 527091.3759 260958.6323 342316.6925 274007.6465 694106.63 626796.0379 455445.0805 389350.7917 353461.6137 307183.7938 Aminofurantoin 786627.9723 989688.8882 933308.3579 612579.4426 578100.0033 560920.9823 804357.7358 907555.7504 1133474.752 548975.6765 576513.6078 488600.1371 1131658.71 1002917.71 789177.0449 603488.7134 624254.586 524111.927 2-O-Acetyl-trans-coutaric acid 2516190.591 901788.2078 1737379.876 339117.8194 69947.77928 764407.0709 1960940.454 1371008.316 2438184.964 1552313.444 290218.3454 134177.1727 1783574.999 3879699.418 2612813.149 570838.6754 1439407.802 228276.6993 Alanyltyrosine 10979795.86 9519884.096 8097453.228 5111626.165 4204734.982 4707865.267 5361484.005 5568612.58 8047600.095 5429431.444 2692376.446 5409197.995 5070593.021 7929778.756 3864867.698 4078684.077 4101582.456 3652312.362 Octadecyl cis-p-coumarate 100680290.2 32656097.77 26130933.34 181825.2492 77220490.77 90487410.45 91754900.15 25433917.98 32241740.24 50578829.92 115089717.4 92033953.39 68415799.94 33458219.89 20259960.46 680816.2278 89526529.03 82021022.28 (5Z,8Z)-1,5,8-Heptadecatriene 6307209.704 10284062.44 7287670.175 2522081.002 3446087.921 2394610.095 4875013.814 14557442.93 6885824.777 2862044.148 3364746.37 2005164.957 14099882.73 13463243.93 10221887.1 2757990.529 2728556.192 3697302.487 Aminomethanesulfonic acid 33671173.33 35165700.69 33225367.91 16113102.89 18348278.58 19114566.28 25571333.72 32354344.3 34108056.87 15077962.26 16580361.18 14539121.56 34111697.7 31483569.75 23522375.72 17663298.31 16844979.13 14584735.55 Geran-8-YL geran 26483192.05 20120517.56 24176252.2 1229714.223 1278330.142 1519177.48 36451766.7 33339523.31 32134317.56 1620541.461 1431231.102 1337204.088 32423777.45 30122574.83 17374850.53 1272720.825 1295477.208 1173287.723 5'-N-Methylcarboxamidoadenosine 5105848.835 7773230.797 562868.0077 4358281.286 2576416.225 3321048.956 3643294.951 8888357.506 5785529.578 2055289.087 10066930.5 4205119.506 4793020.736 5305618.714 6561282.839 4749819.817 3105544.451 4112860.962 Threonylthreonine 8684777.605 9722317.813 8416770.735 7962318.818 12650247.21 9391562.927 7660516.977 5668696.374 8914336.203 8922910.062 10727663.19 8888225.914 8874643.537 7575595.174 5178788.763 8054718.267 6979448.536 6781391.293 20-Dihydrodydrogesterone 3125821.135 1279687.638 2216990.706 5738715.291 8470026.086 8527606.097 2111072.437 1279277.483 1485952.936 10523788.95 5918856.791 4400019.457 1798039.645 1960875.631 2239129.964 8499566.549 5216649.517 6956961.434 gamma-Glutamylhydroxyproline 574427.5201 589656.6182 54079.63875 596347.6477 731396.4598 576488.7779 648475.6288 380616.2585 593439.2182 389118.5601 1261606.539 671631.0379 378988.1916 379233.8235 414441.4212 1189529.959 369527.1617 1030758.476 1-Acetyl-2-methylcyclopentene 1135278.36 2396482.844 925858.0159 2522081.002 3446087.921 2394610.095 3364907.073 1575674.855 2428011.056 2862044.148 3364746.37 2005164.957 1539324.493 1238414.139 619130.0825 2757990.529 2728556.192 3697302.487 CPA(18:2(9Z,12Z)/0:0) 9354360.379 8560848.758 5455632.507 9365904.659 15475823.79 17231069.75 18445057.64 5319584.132 11751936.31 16127452.14 9602758.465 13689971.66 7658463.356 5869138.651 11354244.04 22889848.4 10317731.3 16786743.83 Methyl linoleate 3043092.752 3652680.164 3855542.68 1268402.413 1313312.105 1450763.39 2935583.45 5647650.292 2614050.016 1676736.726 1462714.084 1343797.241 9831413.112 9312368.029 2212314.159 1301567.786 1340801.65 1140273.991 Saccharopine 5038372.156 4819825.829 4335601.472 159667.9422 1270129.737 677713.8564 5721043.181 6145413.204 7100961.132 1643572.732 3845017.601 3156704.291 4701760.467 6833273.285 3782575.416 2871678.831 2101778.864 687719.6201 Glutamyltyrosine 19003476.56 10201731.7 18156290.23 10123937.67 11777245.04 13227664.81 9281691.541 6790860.465 17394172.01 13507401.87 22141249.39 11970509.33 6781497.667 17941891.51 8442439.449 10073917.61 8951371.692 10001802.9 MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0) 4547420.797 3914948.157 8670353.797 75097498.84 114798188.3 113272438.1 20778773.9 18929069.25 3827587.376 101868441.8 101082163.2 160278818.5 10166525.47 20019832.39 11822499.91 111297816.8 116607084 407628457 Asperorydine J 108092463.6 62555033.96 81157553.93 251626532.9 132107143 197276519.8 112260166.8 192162933.6 59112577.28 192508116.1 192876840.4 203917230.3 83021334.56 84036376.45 63916889.99 102341909 150620977.6 106920350.4 Glycyrrhizic Acid 67297447.06 38518027.35 38260206.05 7199131.15 14833491.45 2736240.588 107929429.1 37803852.01 53182380.95 18010719.85 12279106.92 11192625.06 18129219.36 17447585.73 23989451.87 13085840.69 21664886.09 20754850.84 1,2-dihydroxyheptadec-16-yn-4-yl acetate 47863828.94 7466789.936 31489910.68 82222279.54 154113915.1 337251478.5 56227861.84 25903959.41 12791859.24 289287399 108467451.8 267875452.8 14883443.86 13258923.67 30148972.54 290227339.4 290745068.6 192092171.2 (Z)-5,8,11-trihydroxyoctadec-9-enoic acid 997882375.2 679247650.3 826453252.6 2968994004 5299615559 6625759681 1392817558 811108073.8 729083810.9 5771984167 4186290315 2472918176 417487103.7 482480807.4 610712039.6 4397697068 4105453381 3458832997 1,2-dihydroxyheptadec-16-en-4-yl acetate 55660778.9 38979485.07 40400481.45 31427448.46 82085684.2 96286617.83 61524758.29 49125205.92 23764917.43 78517412.44 23152341.31 93015378.75 48293520.14 24273099.28 32083271.69 99670853.23 81435998.42 116091750 N-(9-oxodecyl)acetamide 23186472.05 22265293.39 19978152.61 8717815.346 12265014.56 12090450.43 22575990.72 15621944.93 19632711.71 17202715.23 8423544.091 10097544.19 15450288.37 17358004.83 17961421.96 14921379.48 14373418.47 10302492.02 (2E)-2-[hydroxy(phenyl)methylidene]-6-methoxy-1-benzofuran-3-one 27915818.09 9457584.35 13555188.66 25380174.52 16241458.4 23461875.28 15980310.26 7290421.098 11001614.33 26491630.12 23252595.8 12294162.2 3582918.043 5471451.15 24898633.66 7579900.108 7463516.582 7709752.665 N6-Threonylcarbamoyladenosine 18067890.04 17782688.59 21581979.44 20801077.75 16729168.5 17828481.9 15813039.71 20939087.83 20206485.06 17555756.39 26558942.18 19262144.92 22148379.33 22155512.88 19511132.75 22799698.32 22995936.18 21328339.94 Kaempferol-3-O-glucoside 565112024.4 655174117.2 622173102.5 996345.6483 2066868.75 743090.8461 525254790.6 544920667.6 497825342.3 4174700.235 1136872.417 1615269.391 618709905.8 630302661.5 807492316.9 1928562.863 4809013.258 1866292.831 N-Acetyl-DL-aspartic acid 4123038.619 2916325.388 5369348.966 4955777.239 4047965.17 5165179.049 3204851.89 5221429.471 5256633.357 5069022.329 7686851.596 6396920.349 4251662.94 2779145.515 3131585.029 7145837.028 9289286.599 5150808.04 dA 5136360.866 3829199.799 5133424.168 1937142.426 2045624.965 2247570.564 6004288.505 8713396.646 17486331.67 2465800.947 3340721.835 2270261.252 4301625.714 8952863.909 6690034.334 2087989.455 2456725.141 1956790.477 ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE 5115647.575 7240854.242 13071133.85 14816223.98 12506840.38 10947788.78 11263345.74 22644685.89 8172087.649 8930593.256 18612707.45 10430699.66 16865955.52 11170888.98 23226147.9 15609974.03 14543870.01 22056280.95 S-Methyl-methionine 1001864.952 2579498.375 3323496.358 57250992.39 31142892.65 33644738.99 2541762.732 3241946.782 3020236.313 27986043.67 30191668.22 48007035.53 1504842.86 1114963.852 3907338.474 11917227.8 33455246.17 53785879.38 Orotic acid 1534341.607 2439760.268 4248116.904 5653288.62 6680150.278 3897200.493 1984746.239 1118767.996 983779.0485 4892530.147 7043052.494 4626366.18 1220428.604 1602714.46 872461.9809 5171193.037 6431030.998 6094375.349 Phenylalanylphenylalanine 82958251.92 70555958.5 75966667.69 58793604.95 66794382.56 77862952.27 56216580.29 40690467.96 71338496.22 61154229.56 102008500 61301798.51 53314710.49 69039164.04 56431272.34 52107909.39 71842771.7 55557404.9 Ritalinic acid 3265880.035 2304334.292 2738710.708 1786498.735 1108326.32 1836494.658 2848761.608 9213125.051 2520458.53 864010.138 1853855.932 1552919.887 1518810.522 2626041.345 4187735.872 1227730.003 1086063.637 1064509.897 N-[3-(Dimethylamino)propyl]dodecanamide 20224224.85 14208695.55 22646779.29 26375613.9 19675129.77 50622979.49 12438854.78 27263313.1 9775009.495 20782029.96 42584208.1 32081812.89 18828438.14 5696101.973 6918627.289 27009199.23 13711452.66 20794961.04 Ala-Val 83064548.21 57079600.04 51407536.08 54325763.24 52014835.59 68069344.38 52161185.11 50914212.18 53020489.1 62166916.4 81755507.3 57374745.08 41045079.24 64015985.66 40753617.73 45001229.15 39671255.76 44918918.66 Dioctyl Phthalate 273180714.9 181979946.9 199525247.9 22832117.64 20757779.26 27353328.04 201452798.6 269285618 256037796 29042998.82 34048653.61 24543352.02 276226565.3 300460366.5 264203365.3 21838435.66 24207276.73 26326772.75 1,2-Cyclohexanedione 40768695.29 37941503.31 42520794.48 76602158.63 64550246.92 84470789.51 47277007.76 35091206.95 39967370.85 60981467.4 62633182.88 69614680.92 23878369.01 42879994.63 38928489.1 75462006 75955406.45 69407812.71 Dehydroepiandrosterone 24477136.38 26567210.03 33918610.38 16900001.01 18025691.65 23242783.83 40477252.86 26170542.35 18732691.49 20561830.96 21459709.75 7168540.5 36324861.32 28062580.77 31094538.59 20195275.86 16559203.24 20911963.73 Caffeine 91361121.82 57624471.11 74248882.23 118642415.6 288781434.8 195634124.2 147240050.7 71354190.65 69425521.29 250875706.9 208710807.9 153366284.4 81188303.38 73975719.59 41556034.24 114051289 215254772.4 99473363.86 Palmitoleoyl Ethanolamide 143078266.2 172145182.6 105925128.4 311032634.8 210218674.8 263088114.6 197466854.1 117420117.2 163170658.9 244897059.8 113062000.6 308909379.6 167147076.7 125841928.2 116145142.9 324426548.8 288789487.7 342658086.9 3_4_didhydroxypregna5_17_diene10_2carbolactone 7921508.292 9681883.306 10178832.11 4794646.163 5899478.359 5200933.781 7614932.058 10624672.04 5600209.19 7378520.853 7652692.357 3437913.662 9860363.307 5798908.185 11066538.57 2001681.107 662580.6273 788629.2922 Pacificanone A 46314877.14 28497109.81 35481082.75 230246.1194 1706894.062 2351975.295 33338062.54 38610630.01 17838726.71 1189793.402 2141595.175 2585955.903 53651877.74 26061920.65 30247162.37 1706786.267 284518.8279 682280.4572 Microsporin B 436720611.7 900670158 424015612.2 36859574.12 33102412.6 37989751.74 672812737.6 606876688 566020672 29669209.44 24666759.4 50031370.21 1401886601 654427630.8 543513341 52132901.01 31938643.07 41307484.57 N,N-Dimethyltetradecylamine 18016761.13 15874279.78 14578402.54 15178117.77 17668721.04 22412496.27 19377173.56 15576172.24 18599508.76 19063324.16 17115454.54 15095040.35 18960518.85 15695256.75 12647292.27 15409609.47 13442938.13 17494517.7 N,N-Dimethyldodecylamine 5521465.211 4820376.862 4774475.297 3769992.024 4009777.193 4584648.165 5822280.915 5100910.016 5580050.8 4271317.076 3825754.477 2658302.246 5959483.061 5659656.744 4481238.584 3721638.417 2550217.088 2338292.755 Methyl pheophorbide b 953914458.4 1161614611 1141625435 11982527.24 2534585.118 1115179.866 1059093743 1247955784 1249567623 8956347.074 5112939.786 487725.8584 1454184491 1490408648 1765361086 12383088.05 4891705.341 1868824.061 Luteolin 3'-methyl ether 7-malonylglucoside 61147143.85 35635409.06 109192337 338835187.6 63377420.68 13071655.79 48973769.78 65833272.2 103021385 33625657.48 614276599.6 79524857.87 31629216.97 46654936.8 212878200.7 40570197.15 143455526 67649512.04 2-Oleoyl-sn-glycero-3-phosphocholine 22500219.35 29578987.87 30808129.19 10285205.22 11184440.19 8441817.323 21656097.46 31269846.78 15806259.65 13565150.69 8096103.971 17080217.95 21691684.97 24238000.17 29890252.29 14607148.05 10855883.97 12105737.45 2-linoleoyllysophosphatidylcholine 35298105.43 69974726.81 20129387.95 6348964.759 7097407.198 6123872.129 42037339.55 24008656.6 39887790.91 7994081.306 8352205.924 9751246.737 28960801.93 18248590.62 61587929.65 13753495.3 7800169.499 7933644.999 Sarcophyton polyhydroxysterol 25992992.99 17175569.5 12459944.03 5139369.605 10542377.22 6497891.443 20826892.08 17839250.35 14527600.25 5862108.017 15075481.52 7600979.33 20154933.35 23004904.5 14527150.73 6791434.063 7349079.83 7451082.017 LysoPE(0:0/16:0) 73633704.7 58571551.92 55323886.45 25705669.39 29525817.16 28141025.67 66538336.91 54604897.55 60900073.73 28903194.5 48505409.44 32872264.84 60136859.85 58677429.81 45727728.69 61352779.67 21528516.41 42149496.46 1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate 8845813.442 7628568.228 7736419.398 7563384.189 12191765.79 14574573.39 16315959.56 5056322.069 11980688.67 11367810.89 7261167.912 11399287.21 7196490.199 7751876.894 10447400.61 17025838.32 9593546.785 13709816.16 alpha-Tocomonoenol 113180715.4 1379718540 1182802037 1861206022 187715536.3 315163453.9 246969729.2 1257817127 1592814471 1196377497 188038704.6 259768213 235397091.9 1686218051 2380182721 1737468093 161701693.7 224415599.2 spinosyn macrolactone 7367369.436 19085419.39 10656507.56 15237094.8 4932643.323 2976753.174 14607996.82 11379355.05 17443533.92 5319802.646 1284992.878 2150574.214 16987919.51 19306931.93 17331649.43 9620610.139 4657259.221 4602147.784 10'-Apoviolaxanthal 51911907.42 81241475.45 142599716.5 441534.0682 135455.4538 120883.3333 93017371.75 101823389.6 76015128.13 344316.9783 1531075.626 1176319.217 171863252 100193986.9 82841417.46 306309.9362 62218.41905 1223088.408 4,4'-Diapophytofluene 54993920.73 63025095.39 51664611.29 33003706.01 52041900.36 67795998.91 45317236.8 54679656.08 45868628.49 45630881.55 51321603.57 63594135.81 53505220.25 62304779.51 46737256.96 48635892.63 64626785.42 65495526.5 11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid 15199064.55 12844152.95 10657247.32 2440886.636 823218.7042 1522666.305 10524462.76 9581447.943 10613966.87 1316697.474 1531075.626 1424363.477 9694354.737 7175194.467 12453690.43 216965.1115 1359709.881 681912.3187 Succinyladenosine 31765465.44 23753913.13 40038191.55 9411503.014 11452943.15 10328559.29 29488086.07 45879274.47 50875709.81 10951363.6 18240679.42 10196429.24 21181551.39 30677999.59 36130287.9 12572732.78 12064041.23 10424068.72 Abafungin 40035358.02 36805980.04 35117218.32 3109336.314 1364540.307 1806767.634 28191117.7 58267507.3 85481226.31 1539540.31 3430066.773 11870767.09 64213998.8 88501798.16 36413886.47 1375884.253 2521640.196 1678077.297 Glu Ile Ile 46441663.93 31494442.22 32853266.93 43027780.29 49915119.92 54775781.43 36312687.12 14220858.44 39373592.4 44687287.2 90025293.8 43200771.95 19338295.97 31717207.92 16219452.57 44999391.95 37171606.16 27895421.69 Betaenone B 29168244.02 15825495.66 22911497.83 81919274.36 117652591 85576387.89 24984052.05 51097008.33 18060532.68 104793622.7 68091666.51 23958689.07 23720476.69 23012742.53 47810378.78 142576056 146545295.4 135725799.4 10-Deacetoxybarbilycopodin 81187410.1 44558634.49 67493013.86 9333293.875 17627476 24913378.73 43541456.96 41068399.58 57082362.12 20071235.86 27052052.49 16109885.69 14484863.83 28898994.82 27072220.55 13527159.93 6090920.171 17053709.24 1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate 146100784.5 140243473.6 57898177.26 47994795.39 145108043.3 125412637.5 153879686.4 114553292.2 101332663.8 196977672.5 138707943.6 186514084.1 91660009.17 34060393.53 99788923.57 346686031.4 97329336.31 139163063.8 (13S,14S)-epoxymaresin 161548308.6 179186216.8 236274969.9 153730.9731 397635.1986 432164.204 174871756.1 232334626.9 120453249.1 3257364.88 584429.0788 1077733.545 336842810.5 244046853.8 198325986.6 557647.6263 499088.5062 1240642.165 Subamolide C 157555739.8 128237630.7 116394864.6 116274535.8 141082739.2 161392690.6 301868552 110287808 171058910.4 105306060.5 91754885.79 144028206.2 102650705.3 91342101 137700076.6 212174037.1 77322158.88 119319390.7 6E-Geranylgeraniol-19-oic acid-1-O-methyl ether 57317730.64 146153365.6 210592658.3 297437750.8 80658491.1 93082625.1 80309213.49 177170400.1 435206893.1 221255141.3 39502872.14 46161929.04 101645967.3 198770809.2 306348517.9 165941442.2 55009949.92 28506306.22 alpha-Linolenoyl Ethanolamide 13513487.74 10373270.39 16155552.89 2953582.606 3783587.752 4050135.392 16845532.31 15529822.91 16547735.58 5646496.196 4389788.635 3795184.753 8497749.876 19261365.51 13165505.16 3924994.873 3947414.528 3914519.059 Halisphingosine A 200386574.1 141905613.2 167589953.9 187635631.1 257459204 269035589.8 304067169.8 112856077.7 254950690.8 387828942.4 261259322.2 266342520.2 141158408.7 180679384.5 166098344.4 294143480.7 259330539.4 344458827.7 H-LEU-LEU-ALA-OH 41762052.82 28924423.04 30748577.09 28343585.97 15416018.57 13988486.66 16009194.47 13092349 37056487.91 19635122.77 43376572.9 18868634.54 12177997.59 35666650.17 17033178.05 15998216.47 13367694.65 14781522.79 (9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid 104277424.2 93335749.72 93814366.22 758463980.5 386465611.6 474916280 91680282.51 101940645.3 47111707.89 445745634.2 282669239.8 280430173.7 54794413.32 64806032.94 81156974.4 336495060.3 404511756.3 444606290.2 Glutathione 1107436.397 482147.4152 1314497.344 415275.2425 45041.48483 163821.1854 3350564.822 5546543.786 2320598.379 47073.71444 1422651.914 307233.3308 6450650.819 2548845.529 7037683.773 603157.6235 470884.1559 630870.1917 Nicotianamine 57766335.62 65505987.99 113124501.6 77032614.43 52174225.19 73600449.85 50716426.34 69525821.57 45257223.83 40750970.2 46047331.81 57572835.5 53936902.98 41630943.66 50585444.1 51500287.26 54014785.92 47289294.69 Leu-Thr-Ala 27152354.39 29062512.62 23784895.97 20191926.92 15707859.35 18374329.51 17495667.39 14620514.25 25579895.23 30298475.69 25190557.12 19660610.04 19494619.92 22340319.8 12679018.95 14424099.74 11942672.21 12073075.08 Lysylphenylalanine 122441232.4 101153600.4 100908329.7 52211662.75 50893769.85 53870208.7 65712724.12 60277887.46 105688140.5 54131419.9 67208175.29 48149246.94 61102344.36 72065516.21 44499002.35 36562634.92 35543552.73 49603281.89 Phe-Ala-Gly 50158001.93 81348309.02 43028139.09 45145791.98 38954326.81 44896205.15 31395757.05 27330488.29 42481540.8 45502854.39 58531166.76 37554735.4 28095806.4 33032080.42 22135942.11 29846041.69 23555061.72 28144998.47 9,10-EOT 131536162.7 74621750.71 120757573.5 603879939.5 517838877.5 476543130.8 177188748.1 166120390.8 53196357.86 455925312.8 492131733.3 583985837.5 72039335.76 95707550.95 142964157.5 540869269.4 650365893.5 560613292.6 12-OPDA 432853364.1 394082830.7 406863018.5 1776956166 929594807.6 927924304.4 429178008 765311807.1 559937705.7 1524361843 1056401891 1011225559 360026615.2 272687163.3 532384255.5 833130748.5 2485862894 950393280.5 Stearidonic acid 476777759.5 229118528.5 360891335.7 1694952947 1771304388 1629624768 566330287 464593932.3 215878382.4 1517573143 868521056.2 2140072643 209232640 244026178.9 342966618.3 1933709480 2531368154 2606859969 Kaurane 135489313 150917542 109565782.5 98619922.74 89724981.6 119856429.2 129208061.6 116657843.8 130809269.6 104710259.8 112694006.6 100739002.8 115030183.2 140311089.2 109033190.8 106770176 130825786.1 110646495.1 H-Thr-Phe-OH 57909462.2 61211641.31 57434290.7 53444732.91 35204938.83 48752014.06 30223124.02 37681044.26 47798402.58 45022640.89 73652427.3 35180332.29 27917454.84 43696118.56 32089750.71 34400596.16 28952920.63 30547943.46 H-Leu-Glu-OH 74465223.24 132928952.3 63258769.71 196191283 112795889.8 74516219.68 42801226.53 37753165.12 64514243.12 71615172.12 101871586.8 62515013.62 127662199.4 96913156.1 27388988.83 56137311.75 39919207.26 137356039.3 (-)-Tochuinyl acetate 41016820.63 25979352.43 46462665.25 33247327.57 63243035.91 28654255.39 36147521.42 51966193.52 29110082.49 30286053.01 46873623.85 23744536.61 41082390.85 48687032.54 47179295.15 29970729.14 35486169.95 39134486.21 13-Apo-beta-carotenone 45104510.37 42040358.12 49174884.47 43265157.88 50803223.71 64542943.08 103641985.8 41710017.95 39435473.63 54506924.05 41218203.56 31172692.33 85165763.07 40144903.27 89190035.99 62695267.15 51506182.35 93224277.79 Leu-Ala-Gly 119905014.4 114401870 101680240.7 156005396.6 91429287.71 135031384.9 76962569.74 62476842.38 104298111 132964370.4 120840816.3 77032077.96 72380335.35 91199451.3 37787714.53 52973708.72 42939311.32 112145867 H-Ile-Gln-OH 179866995.7 179476167.2 167779962.4 176036000.8 150361580.3 167791720.6 118462767.6 93227166.49 140747195 178284792.9 222936834.4 131525126.6 98976299.77 121661754.2 82552729.92 121573678.7 106707396.9 116301739.8 Ile Ile 889536854.1 701717776.5 757600438.2 769074043.5 730068467.8 807949392.4 431716413.4 393391000.1 707935951.9 698529183.9 1140545289 650547652.4 374402373.7 560612053.2 342795956.4 603346381.5 482812073.1 553019877 H-Val-Met-OH 6041865.103 8609463.505 3951903.86 51607420.84 41018802.23 50126618.2 3584248.498 2537976.592 4875121.551 48542208.67 46665959.01 35320554.73 3498345.009 2149185.119 2091893.485 35471558.14 28549654.99 34146487.97 Pirbuterol 131870052 106553907.8 113029109.8 70636975.56 61346285.77 66730880.32 118624607.4 147418459.5 145560364.2 71041326.56 88005945.05 70378193.73 125479756 142426920.3 105347474.4 76567834.34 86022458.62 79055918.27 Ser Leu 312984032 292693116.2 287631387 288222909.7 283012102.1 331977583.6 213197607.9 185189472.2 241302858.2 322655802.3 390933699.3 250007877.9 177221356.1 210433288.2 145141257.3 241945705.6 199258473.7 240495662.3 1,2,4-Trimethoxynaphthalene 152914300.8 141769856.6 146364476.3 116534882.6 122512888.8 60559615.96 125261492.8 143427374.4 122562060.3 166902346.7 253765399.1 83378117.59 181217388.9 154512922.9 93581118.21 103297182.1 146807391.7 190925114.3 3,7-Dimethyl-2,5-octadiene-1,7-diol 53832452.94 72568497.02 48032241.76 8443577.779 8133829.125 7445515.374 75696939.44 46906738.83 77331917.55 9310693.963 7960566.116 615246.4815 52032692.78 51769190.46 62957232.56 7567233.746 9666178.545 7689056.678 3-Hydroxy-beta-ionone 13865725.08 13988318.3 12591735.56 15814831.71 14924157.49 15060648.83 13761500.27 16635443.32 12731217.46 23548629.46 11821841.07 18644269.28 11603894.55 14086234.95 13379160.48 22606514.86 33548460.87 18991552.84 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien 251237725.6 241598815.5 210063933.3 9716241.679 9591678.979 11048743.33 238870133.9 270325778.4 318240058.7 9029496.228 10697682.06 6838740.599 346657326.2 337427157.2 177631357.1 12202242.54 8065096.134 10530143.04 3-Hydroxy-L-phenylalanine 68194896.73 63235528.61 56421281.76 13393745.98 434652.7322 12324047.71 69138448.17 66904530.6 87057156.68 15960473.85 14741039.36 10739806.71 71096858.48 78100478.58 59350410.93 17823935.75 220811.6696 10625941.26 4-Methylumbelliferone 313698.1829 1033501.82 655438.8571 31846548.19 20157250.55 32731971.26 436919.821 1564302.343 1177017.449 32389032.71 25843385.51 28003431.78 981939.4186 1063471.858 734798.4153 30761756.32 47011828.42 32059066.37 Ionene 34356727.24 31127671.69 43716406.37 39627441.72 45655355.62 46234407.56 38599410.5 29203438.07 25128843.87 43742832.47 42986873.82 42264752.82 37144123.68 27052392.28 23289606.04 104048131.2 44189598.65 46866599.2 1,1,5-trimethyl-1,2-dihydronaphthalene 41652658.28 37951796.59 47771914.56 36622950.74 49946315.7 43933496.44 47255143.11 31551801.68 29239089.85 119369695.5 112009251.6 43199034.2 49621231.73 38577044.03 39238325.42 54309953.38 37168229.59 49951574.41 Lamoxirene 64995346.91 63146736.79 53474698.15 17223167.72 23281002.7 33019178.79 62834178.05 69781747.34 69029165.28 26354259.73 20610995.96 18900727.1 63991895.69 65941343.56 51783425.78 30151163.01 21677791.11 26271704.76 Geijeren 50800480.33 47501853.14 34350517.93 16604952.43 16886107.66 19031647.51 57408312.97 36971930.47 46398636.09 16062522.73 20381347.52 2529475.862 48448937.15 57369791.28 30919807.41 20187032.14 15618355.62 18123805.3 3-Isochromanone 1238508.728 941872.3399 1247751.589 4738477.623 3256648.493 4977400.311 1148292.937 1011102.607 1358304.105 6000835.453 3893044.277 3347670.453 788679.3231 999976.9684 1376134.57 4515495.339 6473609.146 3996050.23 Methyl pyroglutamate 18048604.26 20572478.2 18234388.37 199959072.3 151464477.2 248462937.5 14701745.7 24231011.26 18381732.53 197668795.7 249632458.5 146495993 18711773.42 23113353.71 17119366.12 161540891.4 180437794.9 140337360.1 4-Propylphenol 137746606.2 126127915.3 146972465.3 24084684.74 27211540.76 34976990.44 117722890.7 171083052.5 137368421.6 59671189.89 23441943.04 18605371.03 171332983.5 163113009.3 82549796.39 30195169.26 47224862.55 37725540.9 Adenine 66678109.52 58019985.42 48003486.47 36563706.96 45114136.2 38126422.21 44183702.53 46800543.07 43832553.06 39435212.86 54831810.75 35864010.29 36299698.47 45367702.88 40782992.11 36624474.17 263685.8745 33465516 alpha,4-Dimethylstyrene 265114534.8 245145492.7 220656080.5 23940451.32 25104511.23 30116748.94 237661153.5 262016134.9 277637562.7 24932828.74 34034891.04 21976611.72 341860566.9 334151572 175857926.6 40786128.91 32329246.97 38038072.14 alpha-Methylstyrene 28672930.73 40362168.12 30921188.98 31168941.67 41890012.4 44277290.91 37142977.04 29657840.82 36936206.43 53404466.3 32807028.56 36363248.22 37584864.24 36468595.06 32859904.35 58137644.8 38093842.76 31138234.92 Ethylbenzene 33684209.45 39320394.97 35006355 38009441.49 43802478.65 46929929.36 34859259.19 34823965.85 37717331.67 41452801.39 42912963.88 36757270.38 38959154.27 30114502.4 33656958.44 37353569.82 37439213.13 36335370.63 Pisumsaponin II 26051580.58 14283498.77 22894131.24 703525550.3 1030257244 1010962153 22420535.19 19357519.12 7935027.367 893947406.2 919318503.1 996024797.5 20860876.55 31229851.58 10138760.34 1177009222 725054910.8 1214682679 Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside 367097882.1 454621471.9 338090343.1 1405047.623 724591.4374 160480.5724 317829902.5 432158367.6 420628791 1133048.256 827807.0346 166079.0268 546294163.9 588426303.7 533369711 2642835.845 3605324.896 794537.3476 Kaempferol 3-(6''-ferulylglucoside) 19682478.28 17389613.54 15850451.94 2522081.002 3446087.921 2394610.095 17681689.57 13139917.43 21462390.52 2862044.148 3364746.37 2005164.957 15466797.46 26257054.51 19581815.22 2757990.529 2728556.192 3697302.487 Isorhamnetin 3-(6''-malonylglucoside) 317280173.2 218910321 270569413.9 2832131.875 2755591.212 1759826.79 343152760.1 149441097.9 265863794.6 3369998.868 2462726.695 2449064.298 78635183.78 141800365.3 157683474 4044717.202 3027561.157 1185240.024 Luteolin 4'-methyl ether 7-(6''-malonylglucoside) 4977724881 5854514953 5121114434 245342350.3 165165971.5 54846816.05 5084008967 4506381458 5467214880 196880365.4 212542035.2 90976952.39 6605047650 5763804844 5984430003 232929711.6 118112155.9 244956412.2 2'-Hydroxygenistein 7-O-(6''-malonylglucoside) 1112884010 1184602423 1280820906 7335061.005 21202388.91 4243246.905 1250563781 1043610368 995947701.5 36303398.83 7823367.282 9779215.878 944420145.8 927950700.4 1362128159 21410928.41 31326023.97 17962069.33 Malonylglycitin 660081118 506617111.9 1023188099 607971216.4 304241586.5 114895678.4 822072058.3 669945945.9 715203882.6 508048818.7 350989509.3 308330182 426469832.7 529584608.7 760022550.9 183114142.3 276644803 289768016.2 Segetalin G 156165.5932 8230784.89 13980472.63 14303465.67 9716430.962 6675970.715 155571.1021 8866101.12 18817139.33 7237209.802 8495931.674 11384608.4 192818513.8 21394803.97 16697549.06 10425841.76 13693031.07 12400115.27 Orthosphenic acid 26263262.05 21190041.73 29937653.68 7200848.489 5584619.328 4687424.266 22268075.29 30559677.94 23052602.64 7150456.507 7906775.611 6864231.689 26649901.41 28831316.09 26208005.41 7422939.837 6132022.732 7603982.145 Phelligridin F 9246305.353 1490478.587 3686382.608 200751082.2 39188756.85 23355704.37 368209.581 642966.5155 10334323.18 22591355.31 335367875.2 1799175.389 1894841.77 224801.2735 4844663.184 60294911.44 302038830.4 910784069.3 Scutellarein 7,4'-dimethyl ether 6-glucoside 53524233.09 36438153.11 57045052.61 63240517.55 16484450.22 10448878.51 13453061.81 25368868.69 29924805.76 12062329.42 26477823.78 16574446.34 27042514.14 24783864.3 45882941.57 10122856.17 27310493.54 24869673.58 Stellettin J 457129727.2 463318699.9 403547190.8 30600454.3 33296488.35 41454250.57 478497039.4 329708381.9 397480566.2 39315813.59 60191699.36 20686971.44 347489542 422727047.4 523038505.7 66548984.02 49291210.68 174754578.8 3beta-Hydroxyonocera-8(26),14-dien-21-one 38604662.13 28594304.52 30074188.09 97626641.49 69515061.64 79302003.37 31243895.53 32553068.28 30296831.7 152607250.3 115139108.3 78424200.32 19504576.08 31059914.84 29252973.52 148897655.3 86108224.19 148107873.3 Tachiogroside B 289075912.2 159944959 212676277.7 971326285.9 600966652.1 522898875.3 267075702.8 209224374.2 172585751.4 885308011.4 1658484385 806111934.3 84326366.62 206106548.8 264042334.4 1228684614 1217664297 968776333.6 Magnolone 93837119.92 50414340.36 51087788.76 121149206.2 107276486.8 51499855.25 77989479.8 53349816.35 41083170.53 90410285.73 169687441.4 87469306.03 49165740.76 52341966.12 37518732.53 78999031.56 144436945.5 136574306.5 Kuanoniamine D 66113386.5 61909280.51 57298489.93 3405207.257 799615.8278 834259.9426 39444347.39 88909103.31 109327551.5 3727723.479 3553108.885 3034318.156 44652827.12 59406970.94 90271929.72 4462347.766 2858881.711 2987258.232 1-Monolinolein 42592345.23 32228796.29 22662433.56 27470540.98 70446422.9 87862958.12 50772373.09 28331096.63 44726140.47 80441690.84 59049284.96 92036293.33 27724399.41 14022037.08 26384379.02 200792395.3 61175647.19 86957250.97 5'-O-beta-D-Glucosylpyridoxine 13157871.51 8648741.186 15399751.38 9737746.798 7045303.704 6472858.822 11564641.49 13331183.31 12843031.92 6244178.004 21749838.17 8290558.931 15107942.09 15214813.6 9751015.561 9861255.179 16083413.79 17126865.04 Erythrophloin E 33638026.23 67046799.27 56573855.39 1358298.28 318730.0134 1522666.305 28264692.1 20548534.11 49937170.75 131540.2015 240025.2829 46924.82472 39873674.08 38589297.81 36035862.22 613527.8211 935915.577 1223088.408 Hynapene A 48048783.29 26263102.14 46847126.08 130130481 120710480.6 408928413.7 37501625.46 70028954.39 21772685.07 156557590.8 144257398.6 73730024.06 31284914.35 54953649.67 80618504.09 142959395.4 140669681.1 137200190.6 Dinor-PGD2 73824284.83 28012377.14 62459935.32 159099745.9 145604423.1 229792769.3 56180930.56 72099739.01 25496798.85 213313638.6 227977535.4 160278818.5 26919134.7 34999680.26 49723230.16 408524740.2 298512407.6 181661208.9 Vitexdoin C 109081529.7 66943786.03 69341513.41 147427756.4 129121567.7 98900130.61 94944399.01 63746091.5 64540638.45 125504363.8 193575819.6 108662014.8 48694596.65 58870896.62 49518532.03 146314092.9 142066450.1 146356613 Linoleamide MEA 6322378.378 5603914.796 6041524.901 6129952.491 6482788.904 3951137.714 13089724.33 5566207.136 20248839.08 5162767.366 2574856.03 4950013.443 4901898.571 5596809.264 9570735.675 6040066.949 3447140.434 5442457.866 4''-Deoxyterphenyllin 157499573.8 167631244 110294699.4 34822665.17 38302822.38 23619945.31 189958664.7 109370597.8 115713514.4 49186744.15 42346094.96 20010718.89 80504210.65 116239907.1 125937636 68400304.2 42084606.79 61338959.55 3,6-Dihydroxy-5,7-dimethoxyflavone 69740898.23 48106032.96 67746503.39 153832111.3 42539311.7 38892799.99 23959874.85 40448052.21 60765130.39 48394329.15 73805008.79 74131163.73 36409595.2 44518285.4 71160783.33 47662524 120399005.9 84983665.19 7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one 283751221.2 207745759.6 194290841.9 104226762.2 80198697.47 55531224.29 223447063.1 154932469.2 115632916.6 82079637.56 83951248.43 71662487.35 110275756.7 121296530.8 132146807.2 92758669.84 153653420.8 141811745.6 2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane 394233.1062 761340.597 823394.8875 90956.18269 333899.8918 393991.5503 909072.3864 796159.759 508659.1405 331072.6796 461957.0465 365435.1206 874705.5972 730514.1595 717390.3032 540988.2709 391580.3444 386386.7541 Viteagnusin D 166934265.1 176476795.2 196673911 3742517.59 4686518.409 7164405.028 233026979 233836472.8 238488422.7 4432477.227 192246.6692 3703842.071 246250436.7 259531737.2 123100191.4 141105.0903 3023859.822 5533124.312 Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate 66261576.74 28408363.35 63602033.11 200818370.5 194513927.6 190038998.7 84939829.99 74961390.58 25708770.66 186963404.9 106742947.2 250814231 34968504.03 32469048.02 45427247.62 228631036.3 357190712.8 289653565.6 Callyspongenol A 61472305.8 79732282.22 80489086.59 4153829.927 4513434.994 7358215.312 28624815.5 96999426.2 25729608.04 5801289.492 5694777.647 8804411.961 49105152.89 38499572.64 36212149.2 9994399.38 4537053.831 6009596.617 Corchorifatty acid B 69117723.92 56480346.26 57212174.39 224220062.8 157206834.6 133995417 89260283.91 82401563.85 55862585.1 169546477.1 131382206.7 187245101.7 60765491.38 70404515.37 83708193.99 172357256 257934795.4 229538709.6 12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid 119426349.5 35672574.45 94497557.06 108878022.9 150740584.8 67436213.82 52781272.44 45541193.97 30454536.07 60648060.07 78814022.65 77952230.08 37224026.12 45308571.21 48446438.15 67204529.43 182890849 86906630.84 9-Hydroxygeranyllinalol 198368570.4 113665186.9 136841455.3 208141.1112 9329911.578 112144.7112 232560216.9 92245316.22 124282079.9 135627.1466 14349124.1 85844.68027 205897874.7 222819019.7 90803432.67 13923864.11 11057492.34 165138.9869 9(S)-HODE 32394734.96 21948858.81 26998836.28 210924137 271001985.2 162866967 97370755.66 54484532.51 17280417.89 232221973.1 95851840.65 278473972.4 12542469.53 16605602.41 37473455.64 356858299.5 378588202.6 404486288.1 9-Geranyl-alpha-terpineol 614235439.4 514224329.4 298808346.2 17973930.03 1992802.196 24072803.78 715087033.5 705714272.2 539947193.5 17707782.53 21413432.54 20645637.12 984720640.2 640644328.3 432185454.6 21801584.77 16245635.03 20909399.88 Tuberatolide A 1788034477 411217851.3 567700161.6 2279028529 1507513337 575923876 1088343168 721015823.8 680382296.8 1485501342 537177559.2 171968821.2 564016995.7 609911607.7 558899227.7 1552917518 1996411139 1022407991 Dianthoside 43941628.39 28632141.78 42138978.09 98828196.07 88751818.92 95373127.83 24416444.54 35119548.77 20761685.73 99425286.01 141277585.2 140679801.5 17031886.22 19881512.13 25904204.56 140256577 106651444 143240541.1 coniferonic acid 1071118724 832358341.8 848900940.8 255080256.3 373372294.9 303173997.3 1410406332 1986570221 962825713 371208611 202159203 396251001.2 1271718904 746703839.2 1394152696 381020325.6 508946543.8 517650513.6 Dicranin 884806290.6 1107256130 758125553.9 1239562927 1487154059 1044532234 1831185747 928431230.9 628139621.1 1579825313 788592638.1 3076.934097 783101765.6 653845704.6 748709542.4 1474361886 1262552998 1773438188 Cinmethylin 490817591.6 293505356.6 356569324.8 328079112.8 313730600.6 300614924.8 527867775.2 209354506.2 225672718.9 314125848.5 240318239.3 297061670 376352416.3 392749653.5 548658413.1 396309839.2 469632899.4 475974783.3 beta-Springene 129815745.7 112881838.4 78158903.7 121446.5439 7053903.021 8076864.766 157185764.8 147603437.5 138834265.1 6889240.276 8320135.034 4916156.553 211570352.3 146082758.2 103674764 7804696.583 7091711.098 8016492.853 Octadeca-8,10,12-triynoic acid 51666546.72 26482473.31 39219505.71 156935740.6 180031975.6 192451338.4 42780255.77 57370961.24 26674165.05 163940234.3 126615176.2 69643107.72 33036947.15 32732516.89 44077982.27 172621721.7 209501847.2 215550903.3 Arteincultone 29172354.29 3798463.661 16358154.66 111081547.8 146806112.1 122626846.1 26620128.01 28753973.26 6845948.847 123589506.1 115429648 227630641.8 21236069.91 19494946.7 28572050.87 169647767 201987620.4 166445651.8 Farnesyl acetate 57360547.33 37761061.06 73197085.25 104429799.5 53887757.31 53495179.62 62953018.75 85854450.52 41924596.79 49585131.45 33865456.96 118461479.9 58281080.23 71336661.6 76577645.15 46183137.14 83181088.45 80038511.86 3-Deoxyestradiol 96811310.87 76606458.87 78382457.46 119676356 145071890.5 91915582.83 108284881.6 216244716.7 73024577.31 128160083 132656177.5 2722195.574 186853105.2 79078856.36 176159172.6 90863037.7 86779015.66 81546652.65 Montiporyne F 192306526.3 194500016.3 124620670.7 255310344.2 233980712 229011046.2 111384304 622372211.6 83270960.13 243177847.6 200997876.7 17724982.15 498691470.8 147740280.4 462163645.7 246402078.8 280099512.1 284815483.4 (S)-Panaxjapyne A 21761900.47 11921000.56 20602199.53 41900431.18 49115651.61 37571823.58 22467496.59 21501753.08 10511411.16 38488372.83 33821713.38 46649044.39 15376003.76 17947635.3 13643839.85 41586795.18 44074463.13 40241018.22 Callicarpenal 16369697.1 17894844.07 13896525.68 17479291.33 20753437.27 23453187.76 17742295.49 14383754.6 17249967.39 26109113.85 18580152.22 22414960.35 15650025.84 15160232.28 14135864.03 27142461.82 19656253.99 16885288.87 Dehydrooreadone 46427534.8 39285906.15 46299190.47 44184246.64 39319627.48 15733852.06 39410696.13 52279382.31 38138218.39 42143261.96 46720971.73 25331848.25 42116713.25 55156992.86 40404519.59 44520828.44 13679973.79 43910928.76 Thr Leu 332740579.9 388484962.9 337454475.7 204716180.8 194616963 239816124.3 227285527.7 248622446.3 266704901.6 237548153.8 270137054.6 188049374 273339296.4 253411019 182253841.1 172269434.5 133270759.8 160648090.9 9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate 54175729.37 26516643.2 53143132.9 113601507.6 162932282.3 156262425.6 41459881.28 39708920.81 24603916.58 131498922 145069568.8 117336496.5 35690143.16 37310067.11 36752065.13 151596977.7 127826742.6 146771323.2 carbidopa 20321356.48 13220816.09 20840320.72 14476627.83 10494386.69 12845519.98 16247826.89 21625522.81 22162764.37 11260360.38 22507644.13 12615003.78 18197916.65 20663192.11 16363090.6 13525256.86 14171663.03 12965200.56 Genipin 8469536.74 6188988.457 8041555.351 6519687.377 7889791.788 4299561.884 6783213.973 728976.5182 7797145.817 4599672.26 12861272.16 6039099.886 1065144.847 9100281.535 846050.6286 7005010.464 7916236.053 5918336.539 Placidene C 8914995.068 6665947.464 7246966.301 28155463.17 18409070.46 14371091.33 5964129.724 8915424.394 2952511.852 14560872.46 16912113.01 20821449.31 6458066.429 7439973.604 7626298.567 20457315.48 32475979.82 25540702.79 Heteroplexisolide E 61490973.27 49551194.14 41995440.36 37438364.53 40370979.59 46759682.25 27937280.83 69982094.23 54339070.52 37255714.11 33211022.76 29496130.03 81624621.05 60055976.62 53362101.45 42283275.09 37187881.55 40436488.08 Fabianine 388892648.8 317698040.8 404126658 16935911.08 18100643.44 17475551.75 337082744.8 322399092.6 340789725.8 13583115.46 9174763.441 18366046.57 364674533.1 589903232.8 374344648.4 11677736.27 22991363.86 14058812.58 alpha-Cyclogeraniol acetate 268326529.4 190705727.9 172454300.7 688485.154 3366018.927 3551955.744 180850375.5 140835700.6 216625418.5 2463215.771 3578716.113 497556.9782 151673721.8 192440878.1 158679928.5 4023367.543 1099958.445 3650147.25 Libanotic acid 38761605.78 33996649.07 37077702.06 235767380.8 202934319.5 324024260.3 27010851.03 68184592.17 13983340.14 230482390.7 210438648.4 156648257.2 15474676.88 27559227.06 22729566.22 179197303.3 147716114.3 192785856.2 Jasmonic acid 121235345.6 27559632.93 115609843.7 536620749.2 748063359.4 991311672.2 114731610.2 138405611.5 81364446.95 792744186.5 174574593.3 472398109 64302898.27 78598050.84 109121175.1 907614546.1 635376147.9 599302889.6 (+)-4,5-Didehydrojasmonic acid 44215855.67 54616215.82 78976036.45 63065883.06 21658777.19 44365431.2 40580155.46 42276846.45 38209471.16 30696870.42 75276226.67 34343048.75 38296813.33 46125021.88 74528601.66 38901765.79 44571393.89 33726632.3 alpha-Irone 23372193.85 24309497.14 19293647.26 22006670.58 34318661.61 32192543.67 33276526.85 18841325.09 28762420.73 30483239.89 36187850.04 24383386.01 22678364.19 20434092.9 17801068.88 28301911.27 21975972.23 21632635.01 Plastoquinone-1 32400399.14 44809163.46 35707344.01 20170615.24 22294513.78 24376248.52 44180719.6 56904612.96 42436112.81 21252166.12 21149815.38 15747162.58 49211996.84 68812305.2 29458301.03 24393584.92 22465376.53 23181165.41 Glu-Gly 54687623.62 106120385 190906841.5 70670160.62 89229848.3 110909232.4 86673862.64 77908835.77 48346262.56 55346721.37 106351249.1 50456647.56 60793505.19 102608001.4 96003387.73 39698524.06 47323090.87 51832092.87 CADALENE 152044616 74686295.84 78011853.8 29808888.5 23520115.08 28980124.43 71265049.48 81435063.24 78286132.82 26916414.68 40544978.33 20822797.08 83413585.91 101365450.7 154679681.6 42096275.38 27553720.63 29048174.22 Kobifuranone A 49899077.08 53041159.34 50644911.48 15479373.67 10319034.33 12412966.8 53364736.66 117730045.7 106310470.8 12040710.5 12240054.11 10365194 46658993.54 122492711.6 89621778.4 13565832.18 9956568.521 9555866.135 Geranylacetone 21152302.3 18310719.64 14699680.91 937695.3756 512288.2123 1100974.175 17917601.83 16664727.82 19078426.78 959251.1399 900480.8552 601042.3019 14968693.79 23356672.55 16714209.4 1606975.264 487685.0701 794723.6887 Senedigitalene 29347296.11 27587300.84 30807167.32 30292278.63 21082294.77 20451506.16 34438171.29 30976746.56 21504626.42 18250394.77 17251956.08 5330008.432 29307579.68 26428996.3 21393118.78 21662592.08 18723084.38 18697845.89 (R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene 96123932.34 94170121.9 93998622.96 121034531.2 123239251.5 126388283.9 98604112.64 18509673.61 21564538.95 111513509.9 146664186.2 34170894.11 20509682.52 21652948.67 82391699.9 148184122.4 48816120.98 65493364.06 3,6-Dihydrochamazulene 163522341.2 211242357.1 94598544.08 44913404.89 56219804.18 62825110.26 132833076.6 86384698.88 83160499.53 52656222.78 71389358.29 2433733.537 99332348.76 89413755.81 89978720.46 73855479.18 51119811.88 58179271.02 Limonenecarboxylic acid 60921003.62 48860218.29 51996132.21 32940360.04 30097213.58 32741231.94 53742696.18 58714676.46 63919139.3 30673256.02 58351602.38 25568219.71 48565274.3 60058293.43 53341506.64 27478183.43 25668780.92 27609866.47 [R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one 33633941.21 13359546.44 29873122.32 144643334.9 155424734.1 151989630.5 38231515.07 29341241.28 13023092.5 133377457.2 85556110.13 180381578.1 13300483.72 19568837.86 21114016.18 158748697.1 205347328.1 220315578.2 (3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene 22316379.45 17783844.9 26133369.57 29199002.67 69848426.16 37695884.9 26150895.62 16441166.15 11437101.81 33221873.37 66243906.28 32739848.55 21934125.32 15398027.36 14989364.77 37806419.14 31167205.2 34063165.52 4,7-Dimethyl-1-tetralone 37779698.65 24128998.16 60501580.94 27310652.1 33069444.85 26916119.91 24630763.89 28522923.38 22866783.23 20067539.25 32731662.37 2384672.453 25436653 27442262.17 21798744.94 16635964.81 16786500.44 28532600.28 1,2-Dihydroxy-8-methylnaphthalene 95219519.88 89445766.47 63736053.66 31480413.8 30946986.21 40832591.7 71673937.1 66521458.86 56526161.94 42264576.4 69568558.41 19021488.89 45634642.83 57475338.14 63286305.86 30530028.8 68714958.64 57263179.43 hinokitiol 5381017.271 20045479.21 19988291.12 29683779.42 4922213.355 6006592.708 7491296.804 20691069 22564695.01 19247520.33 5078223.306 5740676.217 7284238.256 26015181.99 37157354.55 27585587.76 4771396.225 5639295.968 2-Hydroxy-3-phenylpropenoate 88834653.64 83279179.66 88200908.37 79108823.94 59404577.47 65736344.71 99860094.87 87547240.64 84589494.18 91778725.21 105267145.4 70340355.6 79625608.24 69174951.87 65253118.71 72015530.07 57480393.68 79485575.03 (1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene 203126164.4 144615216.8 140713421.6 97052467.92 207767210.6 128791661.9 149552240.3 365482550.8 149504410.2 101527305.9 156486059.7 55544127.38 208751642 186876875.2 129622826.9 208260516.6 179850557.2 101381219.9 guanine 19635196.03 12917984.86 18891416.8 28533922.57 10603501.95 12111113.09 20794763.67 25063900.79 16336916.85 13925390.16 22134787.3 13053148.8 12472827.29 10602194.39 14099830.89 157163.8411 7901318.082 26761746.29 Hormodirene 80322687.99 122098779.9 77949866.21 111236159.9 156120176 196064710.4 221747273.9 83831088.02 146383496.6 137504889.2 165889553.9 78395767.55 139496984.9 216321770.1 66935977.28 116391934.7 194019335.1 128135581.6 Sesamol 3180143.719 2836075.255 3504017.087 29158009.14 30688004.52 33754779.47 2138611.753 3003807.234 3081979.295 55090070.08 35883897.28 27220935.18 1666608.327 2481801.729 2509182.098 32255048.45 24199060.79 28643355.28 2-Isopropylphenol 18017884.38 19170333.91 19184595.61 34128614.99 35078821.65 38045496.64 19248296.86 27802501.02 11618382.65 33988623.54 29998268.78 25441766.66 22658892.93 21359466.48 20147602.73 45755281.2 40910183.78 36421924.64 o-Cymol 37670168.2 40855180.72 33360897.61 38391788.59 44431245.89 44551886.91 39481351.86 32351826.06 38143161.76 45497843.26 37363711.16 40818738.81 39512695.28 33863078.92 33631341.77 45939612.07 30975473.16 36546921.61 Tetralin 66486412.23 58236211.12 58018677.59 50987487.9 39773230.68 52132260.23 61083086.19 68705983.42 57882172.66 44428676.11 51374448.98 57468613.85 76003403.56 82771532.18 44294257.05 54554190.23 39722814.07 50199612.91 octahydropyrrolo[1,2-a]pyrimidine 21884.15324 1169275.572 1591914.381 6832407.554 5769556.975 5859025.205 1430504.774 1313351.626 1035756.282 8155660.508 3305762.501 4847044.81 18699.93073 1120807.331 1056892.123 11101549.38 11357127.11 9353083.604 3-Ethyltoluene 30265967.07 38404279.82 31091875.7 29931886.26 34529712.5 41433119.32 35041201.34 29124399.93 33870604.83 39786584.61 31279929.55 37668448.65 33188147.64 30197000.56 31434295.74 35561622.59 28379727.13 32797705.3 Cytosine 153296319.3 135068163.4 120219409 51953995.01 52694143.04 59496051.89 112314972.4 110847149.8 124875359.8 76390761.5 110539411.8 78495799.02 85709023.64 112667850 80083884.35 42676563.56 43930596.57 42336566.6 2-OH-C16 :0 Ceramide 46030070.3 45874070.77 52636764.58 57981417.42 38241218.05 43630816.15 43802033.77 49481986.99 55121170.93 58017395.47 62397669.03 72492659.76 36261326.8 43602393.96 59122755.39 48913286.1 42401343.1 46954801.83 (3'Z,5'Z)-Celaxanthin 471869418.2 1157030567 593582850.2 4790453.701 6377477.222 3609013.023 680118345.3 1337348334 1085022287 17487017.03 1620549.244 4109207.067 1623637658 1346201782 685673855.4 4185961.373 1265457.039 3062652.131 3alpha,20-Dihydroxy-3beta,25-epoxylupane 22737375.54 5792678.152 4880513.008 17071104.9 90143437.56 47000047.52 36046867.57 4514542.363 3253463.038 31148278.93 61866706.87 56891172.58 46746753.44 3835039.617 3609473.438 18899811.97 85824874.59 57179360.76 (13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol 6849343.733 3498955.452 4874869.762 38497581.56 31817379.67 39246641.26 5596988.253 5225978.956 4187119.699 16999866.39 59043709.01 36801656.18 3868327.618 3911541.214 4438645.326 42819290.61 38435912.73 39066304.73 Comazaphilone C 114406250.5 25939985.03 27718592.63 42771172.68 49280959.58 41427520.52 72070323.55 42326648.97 47231615.61 54303996.21 62322002.39 40316344.86 55881655.19 59801639.79 21640129.71 60132556.63 61360358.92 74045779.12 Tashironin 204122747.9 220246621.3 204221320.5 316357343.9 337046324.4 414907768.9 218356853 193808449.7 299253517.3 360816255.3 267248983.8 280942531.3 263035227.5 225897611.2 171584036.5 399239840 337498507.3 267706418.7 Linarionoside A 6089829.289 6935576.577 5858220.206 2522081.002 3446087.921 2394610.095 8188426.466 5291963.953 4986902.744 2862044.148 3364746.37 2005164.957 7917801.887 6863604.887 5371447.381 2757990.529 2728556.192 3697302.487 Gln Leu Leu 99231963.83 73409072.23 72071378.78 81639027.78 57214700.97 38445613.45 39040659.23 24608736.44 95842708.79 49767981.54 64554245.43 51951184.08 36474984.71 76309736.76 29834413.14 35263718.89 33236090.12 30106744.38 2-amino-1,3,4,5-icosanetetrol 94795896.76 75056231.76 60964123.81 85709888.51 82200453.92 81572005.29 97200597.2 56400625.23 76273773.73 85318618.08 102188534.9 71058176.6 73439606.89 73648296.65 68205196.52 72476545.92 90589495.35 78457844.59 Trixagotriol 97738639.48 56994856.35 75852775.42 12572473.25 13165399.14 17155067.03 113597131 75927034.87 52591761.54 12822232.57 17065595.69 13598405.94 71767427.96 61469585.6 67518154.15 18314005.78 12635764.46 16296185.99 dehydrohistidyltryptophyldiketopiperazine 14683753.99 13634657.07 18234846.22 561511.1106 225628.1388 588447.8541 16568061.36 19649202.4 13662217.64 712012.7964 870840.4344 1117297.635 35862516.3 24938153.62 15514859.45 1082876.637 1165422.202 316996.3848 Phytosphingosine 5320827.634 7473240.46 5191718.964 4124934.842 3867484.618 3939054.954 3974084.852 8986532.697 5403251.482 4109277.254 3382926.231 2330764.06 8855725.949 5241865.765 5759209.792 4430496.806 3419789.867 2116578.677 9-OxoOTrE 478574926.3 356146404 395185126.1 358537927 619694408.2 777325746.8 568816440.3 514808588.9 359264357.2 737610730.9 548305013.7 374519373.1 429317102.1 334210741.4 429169064.5 586762851.8 470921502 608047691.9 Axerophthene 15867097.94 6476844.88 11170719.63 688464.3633 1032062.978 1040519.136 7175615.599 14065718.22 5091053.101 474616.0014 1380225.652 776499.2937 10865404.92 4798127.986 10127770.79 1265045.634 1152182.923 2532271.634 Gliocladic acid 18865339.49 15255298.1 17240520.09 43436280.85 43297065.52 59723171.02 14544996.57 20019862.88 12240341.92 30666782.9 38774399.13 24452122 21418860.5 19612169.26 15917917.57 55361583.48 62475826.29 34649011.21 N-Feruloylglycine 46176517.02 20818724.89 57384460.41 141029699.7 45910881.49 52363059.4 33108099.4 40848495.46 118673586.4 42461032.02 93581040.57 33717690.44 34226207.5 64214195.31 30595524.93 79657349.2 105846686.5 182820889.3 Heptadecatrienal 17208752.29 7059227.782 15727139.96 46240459.6 44810610.42 40811069.48 19524168.42 13728034.91 9511953.048 40587686.04 23139624.12 54961671.52 9505551.702 11978232.6 11063990.25 51371415.06 70310623.64 65381600.32 Norsecoswartzianin 47009644.53 24543279.34 30660430.3 10649491.72 13566468.38 19207809.87 21017580.71 29121757.39 32947355.75 13810316.2 17410832.26 11442376.83 26600996.3 27665457.09 27490601.97 15441069.41 16182389.41 13534033.68 7-hydroxy-L-tryptophan 51726613.34 20000340.13 42873104.68 27107450.38 46195356.6 21705646.67 42387270.46 20076086.18 24991100.98 64474253.97 65246427.13 42202361.46 17443633.39 37657738 32105029.93 82062379.13 49656476.56 35315255.59 Bitalin A 32661599.85 25040496.53 33853440.55 49068666.03 54219557.67 40608286.26 32802010.91 9845883.404 13879355.32 68369095.58 80859884.66 45203222.64 35383145.89 17045587.65 13786986.26 79177527.78 110370098.8 68297457.87 (+)-Vulgraon B 17552956.26 19879972.16 10301307.56 3440209.556 5330807.221 4966979.885 17809375.98 20008814.72 21177279.18 4210076.187 5916386.828 2377485.53 25768747.15 23369076.13 14479043.64 6130346.934 5148926.558 5422823.263 (+)-Chamecynenol 6419383.519 5952762.348 8155226.053 10824671.91 16763387.06 14742198.2 6963255.755 7288647.514 5566842.025 15033396.48 14925598.36 13336296.18 8332035.442 7208306.551 6637044.941 17932535.24 11956320.32 14662244.38 Penidienone 18717506.35 15819061.48 19920924.03 12203412.64 9942871.344 11796599.86 17429944.4 83793242.6 16536449.04 9509199.948 11215295.28 1714144.597 22571642.65 20355634.37 24972141.22 11505250.63 16483459.36 13603463.51 beta-Ionone 23168627.84 25983922.42 21307021.37 20563396.23 26246062.29 30906748.82 25842734.74 18402234.44 24124947.47 25858278.27 20393171.54 24097736.31 23214887.23 20943742.24 20340212.12 35837449.87 21447366.85 20523273.17 Nortricycloekasantalic acid 33543345.66 37203520.55 35521788.5 13151440.13 12899549.22 16850001.43 34286579.13 50313902.99 41719959.89 12765732.55 10485606.09 39001915.01 60956734.55 65640726.07 46138988.38 16143038.12 10570202.79 15830030.34 3-tert-Butyl-5-methylcatechol 98388305.69 116663855.9 93711562.22 13583412.12 12899358.46 12575203.2 127926548 110634801.8 128877913.5 12111041.75 8642929.882 12968963.91 104254362.5 109888625.6 113830178.2 9216135.547 10853797.05 11227677.77 9,10-Dihydrophenanthrene 15425915.44 20042078.26 17992978.2 1848977.901 1568031.77 2827573.106 21032871.86 17385372.94 25311753.68 2119809.945 3320916.589 1971619.951 20534407.91 28226443.45 34181631.7 3254259.027 2852334.292 1875913.335 3,7-Dimethylguanine 16090907.59 12522795.06 16324329.82 6654618.588 6185399.408 7026803.252 9769672.385 15927683.67 9769432.353 10372670.55 9949357.463 7481134.446 8928058.494 7934659.253 8915659.616 4892762.429 4255120.199 4514724.004 cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene 5725973.889 4121892.252 6051705.044 7501563.891 5929804.984 7224264.749 2931559.147 3738579.094 5749338.991 6449743.346 5217566.345 3334899.17 3188691.706 3422247.361 4594605.261 3657625.985 4654035.089 3054782.036 beta-fenchocamphorone 13766397.24 17228681.78 13306516.52 15562426.36 19121239.29 22258406.63 16502815.17 12675678.21 16054560.05 18891991.26 14926858.31 17105019.72 15043494.77 14718182.61 12603520.3 17708944.83 12197765.95 13356435.07 Jasmone 12488960.57 18006950.16 15149344.34 13164459.71 16625126.95 19180034.83 18403507.54 15819572.48 17351472.3 17969654.07 12873311.05 15458579.72 16880900.05 16224256.43 15687507.18 16963731.39 13016316.18 13710375.7 4-Isopropyl-2-methylphenol 50841773.69 73890372.24 87569167.35 33853331.1 34183357.07 38582745.42 71229314.83 88209978.63 88070177.89 32524413.93 30805248.72 24147368.53 83328712.03 98247065.31 67751490.4 35262651.15 38387971.65 35852655.62 Viridiene 44583164.31 45313785.92 62458215.71 49873023.64 62365989.38 79917444.73 52332930.47 37055352.35 23730633.08 131727531 68349570.48 74826737.36 45849051.06 38093308.3 35685781.91 65012296.12 50736869.91 65186433.98 2-Indanone 30633553.22 17032841.04 1927683.588 1190364.069 686661.9157 15445519.23 10486497.97 15198733.32 1695590.96 864215.5029 6827599.742 18008563.73 30344496.26 19904290.65 1903036.736 471601.4289 1018315.597 7725020.139 2E,4Z-Octadienal 26964096.73 32384408.29 23912758.45 29169032.92 31966561.38 32183754.39 27942320.94 23744519.33 27082327.71 28836571.24 31050398.6 97486750.31 28027344.84 22980270.93 24908134.98 27585170.23 31731123.91 23912321.72 4-HYDROXY-6-METHYLPYRAN-2-ONE 556943679.1 565072881.3 518405708.2 607492762.5 546412419.3 624891915.1 554754439.1 547314459 3639160.584 525106272.1 574123824.8 514971395.4 534894877.8 556462591.3 492636256.5 603573401.3 587497157.6 514685140.1 PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 174715.9201 15590204.7 8688936.552 8948333.932 1093373.659 1655699.879 382862.4338 5431570.416 42809284.68 9699565.06 1447984.38 3762495.856 118200.0483 4037323.904 1935926.008 4466348.566 487938.2118 561172.7202 Aralia cerebroside 74462912.9 178591919.3 142955789.8 177208948.3 101828256.7 126414374.3 67303960.21 161479459 149085438.3 115367087.2 87322714.49 144825026.6 97320718.84 144888862 130847700.4 128065553.4 86238105 75891401.27 Coproporphyrin I 25889277.83 52581055.12 46561277.47 55887.62932 2846880.74 1086156.587 36324480.2 59088745.12 41408953.63 89814.84777 2065986.868 79648.45772 91489406.56 39817976.79 42593468.32 1391069.897 1718348.782 1721267.086 Santene 63308726.41 55122783.7 60539164.6 30946126.93 37212472.84 44594612.4 41460408.48 68246759.69 51943213.5 33912934.09 38809763.01 24492208.03 73521090.9 63380627.34 50298932.06 37996760.07 29787993.62 33146377.67 1-Cyclohexenecarboxylic acid 13673571.7 15468509.05 16194467.6 7573175.106 7958900.132 7622624.202 12748475.5 21828989.76 17493540.78 6849046.081 8469194.976 8397605.216 16469274.64 13767470.18 14247174.56 8836483.421 7114800.374 7683730.112 Octylamine 23411013.27 17500002.59 16510905.06 18755454.91 11485674.45 13802721.7 11086190.39 15066502.02 17794949.18 14381562.8 20810830.73 10737262.91 10842645.44 22189924.01 21270990.47 13189763.98 10655017.74 9412788.853 N-Benzylformamide 80589847.58 68725313.77 69577678.18 42432598.94 33997520.56 39463934.98 71744179.63 58530660.13 91172547.06 34682699.53 48276106.22 36093981.71 60165003.59 150697417.1 113936603 33893781.15 34690278.57 33910900.39 trans-2-Octenoic acid 13247407.05 10983848.71 10487732 1057752533 1206513710 1454442391 18147435.89 11970576.79 13625614.19 1147389393 1189397075 2060522162 8567615.674 9614516.236 6282495.592 2913863592 971686881.1 1303889940 4-Isopropenylbenzaldehyde 14914049.81 10875698.27 12757752.85 15722062.41 18627582.93 17726400.8 12388570.07 15472517.48 11952415.82 15133484.59 19542230.48 11421300.12 11538432.49 13762854.55 13404877.07 18103255.43 19784841.93 18083577.33 Lyratal 26148100.35 36279231.08 42713785.59 71423249.57 78181468.9 102145529.8 30798335.87 27232381.11 33458367.04 78312528.79 106519313.6 45664465.44 29806123 44356131.6 45932954.7 68450158.3 135940833.3 81215958.23 4-Deoxypyridoxine 24415506.59 22838585.74 24029528.64 6589199.28 9082265.078 10923294.58 27665140.03 33583547.1 28118233.39 9289193.044 8763330.755 8458937.38 31503795.43 28574738.11 25348447.73 10819134.67 8597009.062 7768346.208 (-)-Chrysogine 2220807.116 1687261.769 2006473.789 354050.7501 1809746.431 1388626.354 1472182.382 806816.3234 3123193.187 1811783.288 3259557.244 1024914.415 2147057.695 1367910.472 1247807.567 2346810.942 1706200.357 1115922.336 Nocapyrone E 8772968.229 7663574.564 6226731.027 7768164.23 8692613.022 9097482.793 8258958.687 6755306.883 8180149.516 6893151.172 5336341.377 6925522.7 8351243.425 2463286.437 6500571.095 6097117.656 7334675.69 7234737.676 Kinabalurine G 11167528.73 9275676.311 10246780.56 9638143.885 11451995.66 12872469.74 9463891.87 6832793.61 10761581.47 12426303.06 7449728.383 9090908.401 6454547.87 8616724.048 8917070.716 15247134.64 12383866.87 10284628.54 1,4-Dihydroxy-2-naphthoate 8717567.069 4621000.875 9128150.645 15674386.05 11667628.92 12939758.71 8810850.909 6791525.321 8100223.74 11706007.92 21236896.67 12428651.79 3558554.341 4275592.132 5697384.245 14592891.81 14096896.92 14429927.54 H-Leu-Asn-OH 141270945.5 129807416.8 126293316.3 118521101.9 118076020.7 132299610 93140097.4 78238028.7 109041356.7 131396149.3 169960050.3 105655208.7 78560217.06 100637664.1 62152597.1 98004504.72 77620234.08 93814909.48 (+)-Goniopypyrone 12126397.66 10639156.13 9332509.304 29919141.97 36853286.78 22438955.5 12114444.55 10591009.45 6565985.704 28167879.54 43313783.93 25730457.35 8324018.21 10588329.6 8600034.284 34285281.13 27247490.24 29506881.65 Aikupikanyne A 20633918.92 20660784.55 34640832.2 11221761.72 10805932.26 16513676.49 31748772.03 21337084.22 14885701.59 13266065.13 17840041.93 11881530.16 30168381.8 23028644.18 23921555.48 16948316.33 10536958.69 14409529.59 Albonoursin 260328682.4 474381910.6 381687189.3 1436064.882 2727378.532 1761956.66 213359500.8 586624092.4 170738946.4 5468622.799 1196668.946 1904083.414 455312818.3 417938552.8 474824285.1 2245835.906 1654174.785 2843604.33 L-phenylalanyl-L-proline 29349750.17 20198655.47 55620982.14 81070522.69 62156542.81 78328355.19 27710662.91 33188739.39 22257103.82 69301470.13 92315687.44 50385363.3 21009576.17 29949575.56 29838231.01 43663937.06 32028381.06 40314971.42 (E)-Nerolidol acetate 15113698.3 9879335.148 14748308.58 25992101.67 22129676.2 29734811.24 18326147.67 16207546.77 10117848.58 23476097.71 24903211.35 12164378.98 14125917.68 13613794.73 13021594.18 18373229.94 19377981.73 28581080.38 2'-Amino-2'-deoxyadenosine 85677130.01 106364838.8 93709428.63 294489567.4 357797772.7 564703099.6 73927066.22 93899459.6 53002934.59 410737836.3 170792140.8 172488256.3 81609282.82 83013822.98 87973724.04 503148526.2 350328268.5 239303448.5 Alliacolide 11433640.51 7386885.004 9979543.898 19485612.24 24782048.73 15416141.34 8137007.688 4579456.359 8137040.868 16377542.76 23771958.23 18065347.89 4809791.439 5675223.054 8738643.36 18981859.92 14439398.41 20173721.72 Quinolactacin A 19808632.45 34730624.3 30678803.63 3692029.436 4288021.904 3838042.057 21611940.45 48830678.19 24888992.6 4194513.051 3907071.602 2440667.711 44988619.61 37903864.35 33228995.77 3846714.537 3845663.641 4134421.402 (S)-Tetraphyllin A 46021794.4 28287024.38 43323294.51 157585.7142 1648204.611 1400757.531 25349990.83 33521718.98 30622991.85 1869695.87 1152335.171 1172970.002 42686644.74 37936915.35 30420285.51 1556612.292 1280550.942 1703762.242 (2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine 41485199.39 25577252.7 21673983.7 36824835.64 20077872.12 19388718.63 17505015.41 11456716.66 24273778.77 23856372.62 33058458.71 21613653.18 14087805.38 18571907.93 12537680.06 16740931.94 14427383.96 14580420.43 9-cis retinol 88618540.46 68868117.47 144748508.3 16571205.74 15406747.37 12101034.9 84745745.3 207336447.1 34953682.74 21059557.95 40811759.17 71144.59636 101480270.4 87478058.97 79271406.14 17969240.36 18332415.33 18621805.5 Leu-Val-Gly 19833358.94 17034734.84 16972146.44 16893408.45 11492998.34 14042899.12 8468105.832 10276939.62 17153913.21 13115087.59 21965801.53 12541293.22 7004139.169 12495455.43 7560647.869 7633701.187 6335507.813 8585168.287 (E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol 85469466.35 69488486.34 52000564.91 86073.18243 8017838.478 11119641.66 93353819.13 55673115.03 153504720.8 8303505.601 228048.3722 6562702.67 87862163.32 91240625.74 58433830.16 11172610.61 206454.3238 9910729.91 (11Z)-8,18-methano-retinal 11363151.58 7342325.278 14361303.63 272179351.8 232646884.7 325129920.3 8606611.819 9611650.344 5095220.718 250974164.6 294270045.1 288354374.6 10613924.14 9890011.006 5615175.931 287992913.1 211228199.6 274756434.4 Wyethic acid 67712481.33 51681839.15 60560715.05 76036679.6 96288679.6 172148920.2 98359231.68 71637300.97 54465962.53 100462055.7 86063037.57 73220181.93 58389856.46 45987447.79 58426128.68 85141348.91 81119309.02 87401239.77 (plusmn)12,13-DiHOME 6005830.977 1833163.372 4091972.483 7379273.447 16164993.81 15268635.15 6990047.825 2325695.752 3275552.766 17404384.08 6324056.09 8942793.878 323811.4549 1068932.3 3115365.248 13100275.62 10275090.8 13554721.83 Leu Ala Ile 58489999.41 42543115.53 41583421.35 44174082.42 36339292.6 33999302.55 35138420.66 18247464.69 51306131.03 40540750.59 45358200.19 42752349.78 31877176.31 42830967.78 25197341.52 30918187.12 29047758.37 26547622.19 alpha-Zearalanol 33008417.89 20958596.28 30628442.9 98943065.52 85423543.89 85882759.22 32210525.47 37505905.01 10812899.53 82150121.54 87675285.6 30092036.37 26676042.5 31286678.96 30254405.93 82071511.85 22608560.51 91560208.34 4alpha-Hydroxy-18-norgrindelic acid 23038168.61 13811536.78 23070415.91 49688618.4 28445673.01 26234330.38 13101158.53 39856102.27 7620278.323 32669423.6 28681777.94 38510614.79 21732496.59 29966985.03 22653587.38 34479893.9 52385194.52 38329343.13 Val Ile Leu 108328704.4 73899030 64587801.05 86272280.68 78440601.22 73152714.2 65743280.42 22797999.12 103790514 98038594.14 120150842.8 93676836.28 40748709.86 63666155.76 34813148.05 59706276.74 53330370.67 53171607.39 Thr Leu Ile 42245014.04 39399732.96 27974973.01 48468491.45 28597971.59 34565218.7 21949391.58 15315921.14 49944993.63 35719989.23 64072869.95 34683908.09 16232170.62 27014810.16 18903821.97 23668450.21 27754568.62 25580082.01 Nordercitin 57431334.01 48671318.82 60124951 31345796.77 27732569.1 40304941.88 68456480.28 61984815.5 56967013.42 36065533.63 49482036.58 28651861.51 63508104.5 56232323.85 58167132.55 47288331.55 41284877.51 36655168.06 His Ala Gln 83553908.67 91200348.73 88892725.32 127598778.4 209580099.5 360420007.4 67929663.52 77532056.33 51347692.54 239777212.3 172126519.6 189893816.8 61883372.04 79543820.24 75883569.33 310942454.2 249540025 231858542 Ile Leu Leu 62134447.96 46750463.52 43264290.52 49481594.98 45622800.88 43212317.32 40474651.74 20536798.09 50997300.55 51429250.44 59372137.57 43292734.93 28117203.71 48538906.91 34506996.56 34568475.38 33067124.62 36430866.09 Gln Leu Val 88128516.09 108119508.9 95159155.99 60543362.07 42295878.45 47908612.64 94981791.22 7791360.815 122107038.1 66446807.92 106344480.4 73584701.9 91935919.54 84651177.3 77456397.92 60089630.64 56533671.91 46462298.71 15-HTPE 6565525.513 6112894.528 4700089.131 227633.4936 1114550.751 334926.4092 3058914.334 8742259.426 2402673.734 128859.3408 47760.13782 1077469.423 7166703.243 10145061 4645827.659 809594.0805 48804.99915 85946.66319 Asp Asn His 82537906.99 57222783.77 63272620.07 4672350.094 1707973.402 13772915.91 37035072.06 53950066.85 66403052.5 1412467.892 3188999.037 2638102.475 58707637.81 59166812.62 28509222.67 1580755.301 2721760.496 2182797.065 Arg Val Leu 50911874.83 42272328.07 38397728.27 44815142.12 37102862.85 33523150.53 34360772.35 19205915.9 45868865.69 39312061.51 54632187.44 37261962.56 27008447.76 36080362.39 22445931.03 32092234.77 29841245.79 29573819.33 Phe Asn Leu 29929337.9 28219958.89 24998326.76 35677137.42 25722887.07 25493977.83 25303097.35 10396508.36 28412031.35 25336713.73 35499329.92 28726266.06 19090208.65 25038269.71 14509822.47 28931359.28 21217116.44 24678997.81 Arg Leu Ile 49379056.39 41454764.75 34261720.6 50383729.39 23994711.78 20726104.54 26725286.5 16281540.35 46805609.1 28597994.26 56157920.65 27069285.22 17345288.78 34207735.44 21221694.01 19182260.83 18006549.24 18956185.76 Ser Phe Arg 31452539.45 20440537.78 24587880.26 40472761.56 44565363.53 46672845.84 26446697.03 23961681.49 23695531.51 42641254.32 44851091.56 2203086.521 20463096.6 17755779.35 23543635.61 32647202.11 38224659.82 47766936.98 Arg Phe Thr 291458014.4 159243952.3 283558480.2 1232742855 1632845002 1449151372 101700233 568593558 44926322.33 1505868749 2174670807 367412167.9 559914667.9 87309466.81 105360295.9 1923008458 1895457519 1674727899 Isoiguesterol 166334213.7 181260134.9 159972970.6 6874401.751 4861774.029 5754801.165 226289154.1 197869000 179375963.4 9652406.432 10026991.3 5764170.868 179457132.4 343726366.6 166124828.3 9513443.965 7152512.532 6919964.336 Shogasulfonic acid A 14994537.49 18881293.75 6460664.669 52196190.84 45578106.12 59772850.11 11280547.83 11497878.42 19452649.21 40394031.23 31454706.29 38280364.35 23006310.21 18154921.68 11922612.32 26947143.91 27303308.35 22193667 Trp Ile His 577347.6802 376991.1978 78839.68862 213473.5122 3252123.643 3760025.103 413171.0003 2754536.018 877606.5224 1945724.447 2119313.38 2531096.643 14126527.01 2675042.807 228701.9598 1857172.897 949755.6709 3131818.543 Syringylresinol diacetate 14231191.91 13419374.58 12230735.92 1358298.28 400038.2709 275923.5985 11946731.07 4631175.6 6029020.608 561686.7392 636283.2179 179267.9649 5094993.035 10334785.87 5321379.99 993248.4607 351530.1144 501039.736 Phepropeptin A 205513329.5 131346190.9 238801421.5 80575871.54 282673375.6 93946616.23 201857493.5 247213367.6 146459070.8 110465347.7 193701492 150819746 179004414.4 150697053 123760677.1 138757301.9 88727572.54 289268722.2 Carriebowmide 26726980.44 42370477.3 23809428.38 25322066.91 28785152.3 33453740.92 31020857.86 30319819.72 39884432.7 28547194.82 16158342.59 29534737.11 50904649.42 34603057.96 18400566.79 25074681.39 20986397.22 32530578.45 Integracin C 256461.3608 215241.6993 742912.4661 19741579.57 19847709.77 32953617.91 586610.5202 288143.4151 1168072.865 23202533.16 22957633.48 59107951.49 1720462.27 1219882.968 505177.6756 28338293.59 16422379.49 22828570.97 Oogoniol 2 10378753.5 6510307.127 6334119.31 10228030.28 10801954.26 12689952.71 6383492.458 7296985.361 5082888.361 12043866.96 17213692.14 15070264.09 6840992.378 7162844.355 6581038.524 12358497.77 13575678.73 21030861.33 Phlomistetraol A 70458036.67 17001256.99 15266405.97 410085.1692 6700867.811 11052417.97 27944827.46 25674492.57 23112298.78 5772723.571 7784256.351 7580646.612 38830543.1 22797404.16 23134015.6 2620301.594 8531933.781 13538962.65 His Glu Asn 69988482.06 56011116.33 94229758.73 193374596.6 11006984.54 3420576.653 130027551.3 41163035.8 29744474.97 11737479.32 15303510.01 2547861.31 16800154.22 17578505.68 121391735.8 6551438.806 15773489.07 8742542.505 Ponganone VI 87943397.51 89150891.79 90561540.64 43983602.47 35445502.7 20904193.7 64459535.36 80845610.53 68320357.98 45169251.29 48270495.68 31242710.74 90842768.35 80000898.15 70570512.21 29113397.02 54633911.12 36059996.65 Pleurogenin 26387217.17 23158521.06 35284237.32 88953931.96 132470212.6 125021608.4 18848381.94 24833759.5 14561418.39 111149034.1 177881791.7 49349211.99 30414569.41 36641907.49 28458629.81 126059855 110720942.3 119077595.1 (E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol 65142647.26 57772749.94 41795870.26 247568.9063 153722.7483 1599132.198 67780310.42 77272424.93 58393139.07 197511.2224 699555.1656 1316754.356 82484525.51 76622438.87 33039883.46 1253995.659 1113934.865 1482965.351 9-Oxo-10,12-octadecadienoic acid 141131852.4 104143454.9 231116054.3 354983679.9 257094514 215709958.8 281884889 148124179.2 83518628.5 230231995.5 143744577.6 685633871.8 83940281.09 73949369.29 146178384.3 306906930.1 865106148.4 315460370.8 Parahigginic acid 21529311.57 16361617.14 17672984.83 2721625.569 3164023.862 3020421.466 31929783.94 12938080.34 15266263.51 3288312.425 2535945.463 357050.2636 4601938.41 6639830.801 10478184.17 2589295.171 7331098.44 5729974.352 6,7,8-Trimethoxy-2H-1-benzopyran-2-one 985573.7303 1694037.992 1969366.107 12244112.5 10135929.62 9129158.23 3170158.517 1858260.194 3578068.88 6393858.786 23637230.41 6196110.44 282610.3457 2962963.401 2973596.78 9761527.054 5779653.247 7559303.227 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid 68150813.47 44760170.46 21997477.65 264642003.5 240773256.8 140891378.2 52890203.55 50016763.05 21023310.92 157822284.7 274885143.9 360328820.4 36949359.1 18490198.61 28452779.2 167545364.1 214091995 199800623.9 4,6,8-Trimethylazulene 69573336.67 62037245.82 77001343.98 148818584.5 135629485.4 161597202.3 80465674.7 74048504.43 60150376.65 125325481.4 151749340.2 90666377.37 79725618.38 68984770.36 70100875.13 83886613.94 123011987.8 157233265.5 1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane 18014227.91 26308373.58 19319315.78 20472981.7 27843872.19 31602611.96 24940632.1 18816749.36 30168706.07 31713658.15 22027981.75 24860549.26 22530788.84 26245147.14 18336070.85 25933961.14 20611105.57 19212676.32 7-Hydroxy-6-methylhepta-3,5-dienal 24169520.88 26225791.51 30060111.89 5058621.105 7261135.487 6351728.817 23486725.52 32030600.74 22225616.93 5788266.9 6893577.97 5416404.911 27805327.21 23760031.34 25782333.67 6032689.695 6807253.356 7618070.497 Phloroglucinol 143972566.4 171484980 132775188.1 108647941 78777291.3 86850334.73 119622970.4 135129368.1 137151233.3 69673614.45 112223566.9 126454177.1 115821394.1 160061112.5 103263342.4 112235001.5 101425785.8 136184824.8 1beta-methylcarbapenem 57541198.04 51920375.54 17940801.26 11615028.91 7926799.746 8442598.233 20976357.68 20553213.43 21486892.89 9694327.89 8926172.462 5594679.658 56029218.17 20106477.31 20362339.97 9062963.616 8110461.767 9086023.055 THTC 12479126.28 17685625.34 10970537.7 33530063.23 26278660.25 30567271.73 10960692.54 7428081.238 12845793.95 32040481.63 25493193.56 23904965.22 9883923.934 8015766.981 4438208.027 22151206.79 16503796.19 27087949.15 1-Nitrosonaphthalene 12405828.69 9724938.799 14412519.48 11113379.68 8257658.087 11602761.81 8796238.4 14053669.36 40623261.54 9194174.031 15559892.53 11847146.42 9541991.731 11054949.6 11450948.05 14400860.67 9574060.939 10097386.69 Phenalene 400043.7784 1476339.305 336859.8666 488210.8124 643406.2935 818562.0302 735426.6361 1147782.587 1345697.741 612926.1217 514653.0722 2187498.062 1844471.575 1299437.347 1005517.261 61503.38855 633240.1052 685264.4076 3-(3,4-Dihydroxyphenyl)-1-propanol 13799282.14 13914404.01 15188087.7 8435425.728 5729701.321 8375525.922 15129362.01 14980943.37 13261559.78 6893327.489 8779724.382 7057839.502 15691417.12 16124820.99 14047840.7 8333142.07 6256590.464 4966783.88 1,2-Dihydrostilbene 28076014.64 28097245.27 40577048.87 25481856.21 25639162 34316860.88 45197991.96 31719765.72 22279811.7 24960869.59 31574811.99 30602378.03 54116180.23 32223490.07 34030116.69 33512218.48 27807224.21 31889897.38 L-Anticapsin 166278734.9 137638652.1 127308427.3 9684241.433 8527277 9148542.456 195411394 131497859.8 206525716.1 14201943.47 20405168.25 13479408.1 135113065.5 185948598.5 126292079.4 11957445.95 14233542.97 13389486.66 6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate 3509476.651 2848853.031 2657826.053 2571394.414 2638717.117 2022046.663 2831318.872 898949.3054 3278984.543 2213940.495 3164225.21 2581361.179 1306677.538 1843792.133 1612511.435 1297001.501 1658698.577 3511716.388 Halaminol C 423339487.2 451618526 354789672.1 382475335.6 440134956 556868997.7 488577720.2 342168089.9 455919445.1 493177291.8 366425808.9 417344947.8 418688464.3 378351173.1 345588965.2 458141115.5 362625994.5 400899642.5 Lauramine oxide 121223345.8 186556166.9 87584928.25 129030914.6 137478170.1 156225643.8 106982985.9 103947752.4 105073324.3 163254332.9 139470777.9 107185923 113328961 108627717 103746054.1 120675804.6 115881311.9 117360909.6 (1S)-7-Methoxy-1,2-dihydrocadalene 52506378.77 39796410.4 101087225.4 24194916.95 46801685.43 36214676.96 39585437.94 36054551.74 34224376.99 31873588.58 56968532.88 3593737.472 79976104.06 58780630.1 37438394.03 24789987.65 34619798.17 34324042.8 alpha-Asp-Ile 104871709.4 99856842.96 93141811.11 101712905.5 99652565.97 121129729.4 67571577.63 58382780.89 82286209.63 127670625.5 154502885.8 96689181.98 61354648.74 87063835.86 47069067.15 83957316.63 61065285.54 72814381.98 Phenylalanylserine 52132900.57 52632949.25 47338038.21 51119925.26 42548711.97 47326239.27 36213627.67 31884661.91 47624357.07 48701900.71 66352935.4 40926787.78 35889133.51 44388339.3 26163662.98 35120653.89 28514880.28 33438258.75 Leu Lys 32093546.57 24567531.14 25572606.11 9954540.414 10059939.78 10245421.15 17059754.2 14020572.4 24231718.17 9739545.053 14838502.39 10601898.42 17725133.09 19062588.9 13321198.87 6094640.617 6056279.551 8799853.067 Glu Leu 142750800 122583278.9 105441135.6 160106406.7 142844740 151976075.9 93983207.8 70087408.24 99732725.83 169301320 247806104.6 136333878.4 61050082.46 80528064.02 56259083.89 134424506.8 99811706.7 113336519.1 Leu-Gly-Pro 45649238.6 43057149.78 40376125.95 37809678.2 35146384.81 33616260.92 30518404.28 23986128.32 41433651.8 32423031.22 47661646.77 29875662.73 30058291.97 34419356.21 30609961.85 26057534.61 22988631.72 25281838.69 1-Methylestra-1,3,5(10)-triene-3,17beta-diol 27767496.59 25864027.04 20565665.03 3737473.728 4214221.447 5477433.711 50654024.16 50247898.04 18975912.61 3814579.712 6139357.244 826253.7329 27959186.46 26231376.78 19292181.15 4998839.89 4270040.745 4337581.723 Eupomatenoid 3 22423584.77 15968351.45 5059672.313 22516143.72 17142080.6 12216153.3 17439439.4 29862791.94 14072816.91 15576728.84 31158359.94 12774984.23 11530665.48 17007691.51 20757286.47 11797424.52 12606843.45 30125080.15 H-ILE-TRP-OH 57499543.5 41510357.3 42623710.19 44181016.99 45352531.12 54989154.26 26591158.2 20655590.96 42024267.18 54271427.06 57816159.47 46585433.46 23374340.83 32007417.15 19473406.9 34932333.7 29297616.74 33022240.87 Albocycline M-1 22747265.2 7972306.151 21079633.62 19575615.2 29765844.4 38610332.91 17006363.26 20660450.59 9246328.204 32372179.78 37136425.07 18054429.28 14718209.26 23240459.69 10562853.44 32608080.3 33673212.64 37830775.68 Ile Pro Val 91728526.45 66856613.62 71195800.74 53889683.96 29959265.69 34071330.03 28585408.31 30402571.69 77312404.29 36531168.33 75787791.12 32399145.83 26266532.95 45638638.83 26432064.07 22588323.1 19369615.21 21036846.59 Cytosporin D 5695923.475 4708680.315 8396271.175 7004901.732 8000681.602 10570531.24 3698056.204 13198842 2064168.835 11531147.91 6298600.264 6612758.013 6996499.261 6653167.538 6040731.924 8357103.518 10470445.91 10066260.26 Betaenone D 5964952.019 4131911.419 9018254.195 106755077.2 133518883.8 139323206.4 9199891.187 14161259.43 2372139.46 124753987.8 131205624 160278818.5 13728937.53 17923759.44 7095434.591 125144586.7 116238236.2 118137946.9 Ginkgolide C 8991239.307 13094534.81 11089408.52 794119.6494 478630.3887 497414.4472 11785197.21 9685584.07 10076709.91 531431.583 1528902.759 602294.2071 11504825.03 20464699.11 11994732.14 825935.6183 2481960.179 2126332.292 Herkesterone 17262035.54 19946439.03 19618849.39 7620066.458 12950775.72 10428721.45 21453359.81 49510883.09 19341280.69 11118473.49 10996764.02 7287208.526 29907114.8 20556969.63 27129960.69 9477822.678 7207285.493 10281136.91 Formononetin 7-O-glucoside-6''-O-malonate 108764723 22987353.46 86173032.96 6833005504 3321726560 1548673970 115343961.6 43794448.33 87767679.14 3836431874 2948797441 1873485800 14182282.7 28672302.43 94856649.68 1823073910 2828244114 2299257122 Methyl 2-acetyltormentate 20025989.07 18933465.22 24241462.08 21099871.33 36445486.92 28558030.89 27031037.01 24728732.23 21257187.22 22376767.03 38544001.95 42472687.88 20239330.56 16659234.93 29092676.54 31415691.16 20956946.11 42582104.86 Raloxifene 18497611.1 14357302.13 19816353.73 25604013.6 26882846.96 24358308.9 19307711.32 22879000.92 16534119.17 23375799.8 40292532.61 20689554.36 20370150.62 19493657.48 19355136.2 22940615.03 28402993.44 32738707.5 4beta,24S-dihydroxycholesterol 274003.1217 4966515.66 2232912.742 3857041.691 172916.5384 599707.7036 948729.8514 1875123.447 3119055.953 2371023.021 1562855.329 1426393.05 620527.5069 1524596.436 3050836.865 3352821.078 181442.8388 352150.4311 4alpha,14alpha-Dimethylcholesta-8,24-dien-3beta-ol 6409687.543 4405574.908 5565274.651 8970797.219 8190332.448 9630589.26 6757169.383 5340200.297 3453543.172 8555361.473 10401988.47 9675055.88 2916610.496 7403354.979 5201840.111 13022986.43 14742256.17 14689591.23 8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid 12124642.39 21674924.88 16600657.9 37991082.52 71588293.3 41865076.66 12119622.37 17627054.85 8425855.424 28507376.97 46205511.92 32812901.49 16861685.15 15896742.79 16959702.08 46596458.91 34516227.96 86863961.75 Phycomysterol A 24410708.15 32483423.28 48016414.06 4713614.305 10862060.22 9254689.884 35682956.85 26044099.79 17002083.35 10500622.26 10222931.81 1252904.263 33046335.23 29025841.61 36116714.36 11209462.28 5803932.436 6403078.758 Val Leu Phe 26510347.16 20037297.04 18122080.31 30071760.13 23314187.9 21080345.2 20999292.44 9792562.628 25537925.74 27770007.94 29409935.92 30257158.09 14179025.72 22982081.21 15197492.57 20576772.08 20373285.35 19112145.9 Lepidimoide 22636838.97 18613120.52 15102498.93 55742461.05 32656370.2 29238611.11 19622063.07 15609597.86 27796776.04 29071641.63 43034809.58 24036298.48 23723497.7 26900987.02 17691470.76 27428565.38 43205737.83 32663664.68 Phyllocoumarin 24851807.45 34992787.14 26352386.71 2009201.511 969572.7811 174973.1997 25159850.81 24110292.03 26630218 1141139.858 912573.1136 1069734.522 34847716.38 28589670.68 26933540.41 453221.133 1718193.25 1094993.644 Firocoxib 21624924.69 14620095.25 12194501.2 37658020.6 17060264.77 20882478.45 16077805.66 9840719.908 22617812.41 15884160.44 56314227.94 27931089.91 12721621.52 11475852.79 12784083.55 17030580.36 25632608.65 15175063.15 Antibiotic KO 7888B 4980494.417 3993487.635 5126010.239 76151.76777 75223.4455 498505.1932 10983604.11 3880921.707 6214485.104 291261.2737 702116.9143 160736.3502 2826978.659 6379303.716 3272703.615 1025066.189 935915.577 70556.01673 3-Ketosphingosine 57943553.77 98976278.89 44400167.6 80208939.34 48577135.07 45620671.62 76653864.18 36884428.5 46633235.88 52278169.2 61495481.53 35608536.93 48683782.44 49280602.39 32673475.74 70883772.62 52226308.18 47212149.81 Aspartyltyrosine 17005425.37 15120445.78 13693067.81 39673960.14 28013923.98 38201370.22 14727057.01 10233747.36 15981895.79 44146474.41 51787967.18 25070589.79 11108093.05 15542816.68 10340390.34 27926154.26 22602780.26 24763993.01 Leuhistin 115762679.5 106242221.3 97442348.25 109573224 95987445.2 109699980.4 77587271.47 59304926.94 89802417.56 113615248.3 142043484.9 89542602.36 62374695.55 77847250.53 52476850.5 84585644.01 72303918.43 80266529.25 3,6,9-Trihydroxy-4-megastigmene 2841827.286 3220518.047 2662698.881 625505.9052 1437395.786 1364786.091 2787674.773 2640915.952 3019829.435 2457883.663 461738.2695 542992.1868 1881786.79 2789273.899 2703660.455 1602398.532 1623978.541 829542.5566 Pro Ile 144902427.3 125731681.4 126376507.6 82352697.13 74178098.76 85491153.6 140566879.8 163148048.8 175675343.9 85808988.03 122541676.4 85478586.37 141668926.2 163706966.6 106510058.3 125406463.6 109356849.5 96013862.06 Donaxaridine 15981066.8 9359038.26 6063022.818 5336897.353 4638070.202 4517058.778 4732173.737 11664301.27 9224854.437 5566153.901 5872918.62 4877093.525 7438461.862 4599551.812 4734224.682 4155623.469 3366073.136 3457714.957 Casuarine 16133092.63 16600124.93 17793097.33 3752205.158 2168512.498 3733990.654 15928903.13 22105294.66 22485734.24 1785916.37 5795047.472 4531885.698 24023792.66 27059795.26 16816074.46 4532633.178 4146111.48 2551477.767 N6,N6,N6-Trimethyl-L-lysine 55713639.71 25938335.37 30528191.22 37882684.43 33057733.7 26415931.09 25234065.47 21922035.22 24463157.43 20380255.24 30539568.07 25475817.57 20663965.82 35084038.4 27244561.53 17742561.56 33319949.15 34591129.63 N2-Acetyl-L-aminoadipate semialdehyde 14135225.25 12084040.72 19227940.51 10848041.61 6998904.366 10322946.32 14547329.85 22931159.27 17905958.01 5850395.238 11219335.76 10172101.76 13853089.82 16938780.34 14978072 10453916.17 12236521.5 6620624.627 o-Benzoquinone 83505064.62 66409282.22 86637163.66 42683263.79 216274.4807 38026751.17 66076149.8 75221981.69 108653602.8 35221996.08 32471048.21 27417218.13 61080112.28 82328631.32 72816138.3 41816358.37 36539588.73 34389964.73 Rubuside H 6086305.529 5790562.949 10688408.88 90966615.38 181760573.2 320988337.5 6928251.472 3530357.465 2271435.107 288984222.8 284561469.5 15753.88995 9141021.135 5081041.568 6229241.244 231665431.5 157573237.6 175211325.7 Betuletol 3-glucoside 3421231.339 7874847.883 9849030.047 2522081.002 3446087.921 2394610.095 8417173.485 6957603.921 6719790.291 2862044.148 3364746.37 2005164.957 7181858.888 7025826.734 2594567.672 2757990.529 2728556.192 3697302.487 Ilekudinol A 41155590.64 41329132.81 42942607.68 4684554.251 6031024.869 7543148.938 48639603.33 36528522.61 39634379.32 11324718.88 9343153.81 4614046.655 34873462.38 49130530.08 52092210.37 8107658.491 6068202.153 7465730.824 Thr Arg Tyr 230547054.3 252227688.4 316312875.8 631019595.3 688523996.3 780052645.6 174683933.6 278494133.5 69081952.6 674568544.3 616172921.6 147445656.9 129196729.6 259875815.3 242854676.1 851413643.2 936426815.9 772353018.7 Oxidosenexone 25618749.45 20160980.91 21824393.91 103993963.9 66610409.64 116360557.2 23737429.77 23670298.26 20564772.23 105602958 118394624.8 60607352.37 14202177.41 28718491.62 28371200.45 180339299.8 96717972.93 87524825.9 Estradiol 17beta-cyclopentylpropionate 69378610.08 95948745.99 67553776.64 190304.8595 366061.1987 269197.1189 79730931.63 62441554.62 62700371.22 1420985.482 1600361.879 1077733.545 70048078.1 114001062.5 102106439.1 535588.6957 1243244.875 745145.888 N,N-Dimethylguanosine 67507214.81 40883718.64 40665788.87 6932383.651 3722662.007 6798673.299 50947412.19 67171029.42 96794294.64 10472291.73 6624435.305 9536641.907 39891262.14 63874061.7 58625267.84 5472137.261 5007562.077 4072662.219 14'-apo-beta-Carotenal 42023656.37 52116499.23 48821802.67 2430461.616 3770598.093 4559722.111 49139824.7 45596225.25 74383245.24 3486594.26 9448704.13 9216311.9 95960706.16 45024129.75 42880402.19 4274040.161 4247334.968 4037460.629 Dihydroalbocycline 47875707.25 55404973.99 96606481.24 246326099.1 261238032.3 233000039.6 104889225.7 120468690.7 52098254.15 253070212.1 100766953.8 340029030.1 62486611.6 74818709.08 98747661.37 174789030.3 290609514.3 374113903.4 Pipataline 15148946.19 10387319.53 13227030.41 20592760.05 22394995.16 23760651.18 16828047.9 18724692.53 13280296.79 22550122.57 14720692.59 38471058.76 20855521.71 19436260.13 28204769.08 21683728.18 21633602.13 26456194.78 Crepenynate 24456574.51 25867618.69 17945205.73 19061892.13 46480883.75 20816623.95 24945202.37 20559625.03 18182838.05 25909030.64 26267888.99 21956331.73 21667599.43 21354511.23 17986183.87 27627660.24 21893922.24 32101544.56 Panaxjapyne C 12520627.96 9496277.001 13480532.22 30917803.57 17034401.11 13768185.27 15386678.26 28500768.58 10037396.88 13836500.89 19338468.32 25845157.96 15068552.53 16499697.95 13431720.18 14648698.91 24071742.52 22255159.26 Ovalitenin A 41259875.85 30019138.52 28002368.36 11054158.87 11771876.97 8297747.405 31155160.08 21307469.38 19715722.19 11162160.27 12366249.33 6072081.542 12124011.35 17600429.71 17246879.69 19980799.23 12739317.85 14468793.86 Anhydrovitamin A1 79511010.89 54776967.12 123303535.2 18461000.44 19589087.81 16682337.72 71945032.16 146109318.2 36479659.08 18977455.85 31611760.29 1577688.399 70681881.99 85517559.77 52847524.17 21428009.5 19374508.73 19730353.71 Linolenyl alcohol 9243349.362 11741055.66 10362201.66 13328745.82 11145681.45 10302971.84 9844647.707 6544697.57 10238720.63 11006489.12 14251366.98 10585280.7 7250986.406 9477676.397 12739089.18 7652250.039 5392645.743 10008850.56 Lys Leu 404199861.1 353260641.1 374198384.6 231042078.9 192753366.9 212120267.8 248145763.2 257834938.5 311354249.2 220706550.4 228097319.2 195414877.5 244924826.9 280565615 184333300.6 160312443.8 144476042.6 195041476 Valyllysine 48886340.9 45391404.55 45560486.49 22794207.47 20841945.34 23060520.24 35623253.78 30394058.11 47494047.26 24274845.42 31150448.75 24893557.7 38282036.93 45140775.17 28417556.44 20067940.59 23360534.92 24143006.14 5,8-Dihydroxy-14-nor-7-marasmanone 12412669.43 3816969.73 10515271.78 266323639.3 224273347 263784050.2 6598934.761 3738415.192 4050683.078 135493217.4 138369182.3 144379842.1 6637437.574 8439093.882 4542615.783 112827512.3 209280895.9 263239477 L-isoleucyl-L-proline 232557140.2 220268778.8 207099129.3 186867247.9 113699855.1 207887317.7 147838624.1 152526670.6 221705704.3 192569548.1 213448167.7 264530607.7 166111735.4 193596127.6 102069350.7 142963780.7 93417136.67 112294872.5 N-Octanoyl-L-homoserine lactone 5052582.968 6918777.44 6667826.286 12807429.84 14775757.18 13322927.93 4202530.231 10974980.53 1879530.023 9008588.7 15426545.55 7028948.763 9810067.746 6899375.815 4417130.716 12243835.94 11499826.98 10810790.61 Rumphellolide F 13628811.25 15887693.66 15156553.41 13408468.31 9348179.949 10063146.92 12443836.24 20569257.43 17154790.32 10301154.11 7574155.707 12646117.91 25480558.15 21166319.93 19383633.23 11183087.63 13279208.84 12176040.03 Elaeokanine C 8184670.485 4706633.777 7126466.792 14403475.58 13815821.31 13671412.63 5951073.388 8767876.425 3780226.382 13379349.08 14960284.22 11995923.41 6130964.237 10098197.93 6775198.472 16039226.37 12510618.22 12187318.7 trans-1,2-Diphenylcyclobutane 2467211.359 5742024.418 2748078.159 2166193.427 1492837.443 2489506.31 3696477.377 6683843.758 5765046.678 1439519.661 1686095.686 1230089.865 8206571.759 6418530.934 3650632.435 1093697.753 734286.6359 56918.07159 Bellendine 956967.4408 1363910.065 1201296.033 1328290.546 2126214.855 1444542.598 2204709.707 1109545.296 953490.7318 1500581.825 1215914.744 1404525.124 1152700.615 1125712.011 1203513.976 2281480.748 1112932.481 1475915.57 5-Methylangelicin 57583582.7 50170026.02 38173740.26 55533796.82 64931424.4 44050270.04 36610888.89 53217960.66 47161849 43415143.83 70553619.68 32549893.31 38938767.17 44425760.98 38724036.34 62089478.46 46145324.61 64015930.21 4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate 3263852.091 3852310.395 5560439.041 8511635.152 18686277.65 7805616.307 6897111.032 4649826.406 3450527.559 14582530.36 11658413.28 7595690.845 2782736.537 3045774.965 3709261.664 10000213.64 6610313.237 10795235.15 Dibenzo-p-dioxin 4323882.325 4781113.395 3303886.383 9461753.008 9510752.942 5218050 4381360.73 4519514.765 2951448.613 6496452.241 8448613.56 7133722.374 5486706.447 1846672.896 2350234.374 7053978.59 11607865.41 7920446.33 (2S,5S)-trans-Carboxymethylproline 84851751.25 105623390 107450271.6 93473417.27 76526510.3 95007011.92 103526558 109437372.8 85466211.79 63262139.93 124203458 79082700.19 91415583.34 106709272.2 122056086.9 84446444.09 75893252.42 57540223.39 Palutropone 20809512.93 18972828.11 25106142.11 31952462.24 19181106.55 24655498.74 20744101.32 28485777.76 27005157.78 33428385.82 17660497.37 15089376.09 31358492.25 20883563.77 23285697.33 20302929.02 49343546.17 39031590.06 3-Methyldioxyindole 197599867.6 169759764.4 75231889.79 21790816.35 19254884.2 22997807.24 194890124.7 200019991.3 136268977.5 21230757.61 21648451.98 19095141.45 215359906.4 136598674.1 73966601.17 21647054.57 20609603.39 19036580.03 1,8-Dimethylnaphthalene 45407929.63 34069657.27 43032182.27 20200604.98 35968999.86 38012702.95 45672780.34 39518659.68 27076978.69 32067043.47 32023470.2 3835293.637 46955349.89 39019643.96 39977862.49 25468385.39 40740690.19 23054545.02 Xanthine 8341345.621 9596144.433 7858457.385 4697572.912 2474245.93 5273418.833 12422414.13 8824611.256 11525373.88 2842695.841 7122730.26 2955246.443 11856920.5 11424217.47 7601581.256 3286721.485 2937341.791 2734056.176 Soyacerebroside I 67515566.37 186776124.8 204204663.3 179511438.6 30247021.85 46415128.69 31858411.25 189282384.1 270718170.6 111694766.7 42096574.62 161100777.3 99933965.58 238448996.6 225171055.3 102217062.8 128659475.7 110717932.8 Haplophytine 75143160.94 247400698.4 155564891.9 2522081.002 3446087.921 2394610.095 72345918.79 375995246.8 167875694.4 2862044.148 3364746.37 2005164.957 380152662.9 264268394.2 190283572 2757990.529 2728556.192 3697302.487 1-18:3-lysoPC 16418756.52 22038664.32 10548979.02 980269.8525 1701232.735 743077.7877 17683791.57 15952983.25 19194439.75 1027713.592 870964.5713 1231950.364 18495048.22 13797621.74 17911716.17 2138544.905 584139.9203 1563811.155 Kuguacin F 16960222.1 8501912.556 21186167.71 16162384.65 44499876.29 44199293.16 15627865.42 6680371.218 9910413.96 67528705.57 56137435.7 13446282.04 7538399.178 19571178.68 15121509.6 58227860.94 48989634.3 55525921.6 Aloenin 2707238.174 3418601.832 3310639.27 9700640.906 5710836.221 6691258.576 2062104.841 4064391.922 2922654.289 6269681.631 10620388.43 5315611.43 3213384.543 3293086.35 2376172.171 5508317.411 8299494.71 6699018.581 Micropine 399728.2906 230254.4295 728795.264 2545971.896 1493460.512 1716575.358 314975.672 405478.1188 123063.3255 995266.4851 830176.9491 2125140.242 177733.3842 122159.5056 157190.244 1298897.898 1867278.924 1711029.846 3,3',5,5'-Tetrahydroxy-4-methoxystilbene 7879060.103 4729251.901 7510150.926 8644633.189 5052337.885 5929302.567 6311416.315 6377415.869 5723885.705 4460085.534 6436251.773 13285790.19 5638462.275 4068687.759 6627961.244 6520454.779 7632446.695 4395796.952 11-Methoxyopposit-4(15)-en-1beta-ol 12144609.13 15295624.04 16860739.59 1358298.28 552152.7851 152554.7578 13185315.32 17329741.66 5248917.006 449549.5729 1531075.626 1176319.217 24531521.48 12816480.56 14140017.27 1025066.189 512235.8735 1223088.408 4,4'-(2-Methylpropylidene)bisphenol 16007441.03 11081704.03 15650729.25 1384607.588 2942035.572 521242.7526 24579200 10012770.85 10757521.5 3694852.799 2344921.224 741617.2225 5564426.111 5453217.438 10175483.77 1780651.548 3448868.42 3925309.7 Viteralone 7627636.68 8772647.74 11964334.33 17561664.03 17610699.98 9171476.518 9694375.139 12558041.04 9970108.105 16699341.2 14673253.95 15798654.15 8420947.087 7555541.16 6227736.418 9060014.326 17902114.73 16494725.8 3-methoxy-5-phenylphenol 13738853.08 15113363.86 13973148.89 17369916.23 10131750.14 10439845.67 14060439.23 14059579.49 11856469.46 12609934.7 22291933.51 12789739.33 17913888.44 17251772.75 11303452.42 18442431.77 21964450.41 11163262.2 6,7,8-Trihydroxycoumarin 10886524.98 7591623.21 3891477.371 1938696.615 1813445.772 1130689.166 10936142.59 4737683.122 3519436.334 2031743.079 2236618.308 1440174.246 1100239.59 2288678.926 4202461.14 2266562.446 1613234.03 1885967.673 4-Methyl-3-oxoadipate 386837.6652 56930.92661 1550431.529 148789821.9 163260416.5 235604558.9 1691028.466 97881.81878 1143986.02 167337348 168326129.7 125896550.8 1455467.342 80773.19335 209566.6933 168099069.5 135509984.2 196234638.7 3-Methylmuconolactone 2889224.627 656934.4567 1370551.661 185830052.9 315314718.1 386523580.4 1020038.716 1352406.483 2259036.116 293682867.7 200598910.1 191772134.5 127135.9734 963933.2816 1451527.517 342359144.2 160236666.9 213267763.3 Hydroxytyrosol 24551845.7 23236216.01 25758845.92 9264822.24 8009763.798 6770656.466 19622943.11 25312146.5 23411697.65 6911198.972 9450764.537 7615254.125 23577332.81 23029824.04 23055294.27 7414316.492 9731131.504 8592994.088 gamma-Terpinene 8479168.041 12363837.35 10480405.35 1914694.68 2231030.289 2225511.343 7553202.563 14444998.43 8451293.346 2080408.522 1678851.41 1346941.859 14717904.99 14920428.25 10777553.98 1471640.959 1907774.461 2105525.814 LETESTUIANIN B 100473654.5 59088714.35 67304828.23 65013437.34 53805690.02 34461514.91 75226718.31 59561123.68 57693655.5 54207854.67 56025402.45 48439371.64 58575661.17 61895064.09 44301590.47 58121674.57 88304997.4 78605519.11 Glycidyl stearate 529750229.1 329110351.5 243877959 279973302.6 400029753.5 485771852.3 233707031.2 207405008 247073485.1 336120360.1 393468240.4 241185527.9 301953215.2 371356437.6 306294084.4 189239544.6 252866463.7 206902178.3 (-)-Ixerin J 34351129.59 27311421.69 39483690.51 10730235.32 12547037.1 15082872.71 36780278.65 34439477.44 32760979.83 12697214.59 14847565.12 14578467.16 59473254.08 41332198.09 32256394.09 17227163.53 15679435.38 14658634.9 (6R,9R)-Roseoside 37992289.58 42195325.97 51112420.61 24794557.89 43047470.91 60530527.56 44191756.44 46605568.96 61740762.84 37552244.69 25940580.46 23358839.38 75719029.64 102878127.5 22355103.15 58072151.73 42381996.85 44827228.44 4-Coumaroylshikimate 31971697.74 30896018.32 28368897.7 9510217.689 7189014.074 7244415.285 41581274.06 28726085.29 44479595.58 9446214.09 12611523.45 7987077.157 38865433.56 39981816.16 28827424.75 9941814.706 12189172.22 12049393.34 Mansumbinone 8346777.235 5529183.935 8988501.406 16925398.94 24806819.57 25201350.13 7155280.724 6089197.529 2471323.984 22660393.72 21779744.48 21560513.2 5302183.938 6770831.096 5332045.797 25073738.95 18237180.83 22930118.45 N-Malonyltryptophan 79561135.21 47014582.29 84155300.06 239782589.6 195985141.7 381676793.5 77466620.33 128025652.4 154109590 226937571.7 393751278.9 278649418.6 132736425 71049665.63 58624339.96 596285671 262647369.3 230292619 Gerfelin 310605263.6 368155153.9 308756167.9 18469287.78 8183953.085 5333154.881 311936016.5 339391324.4 347892190.7 7796402.837 7521319.123 7270625.681 344760900.1 420516666.4 228286556.1 17090655.94 11506037.39 9261295.71 Annuionone E 111790910.4 170682482.7 108024836.2 150349246.3 205629676.5 264221475.8 161790480.2 115868984.6 98914702.06 209041332.3 152138547.5 177306458.5 112148763.5 105930325.3 101127274.7 167332691.1 166343876.7 187070225.1 Phosphinothricin 253393.1194 411883.686 445583.9893 358484.1051 308837.4645 421075.7488 413588.6331 1170762.272 482096.7745 361649.9991 271716.4129 348686.1156 467404.5173 385872.0978 416482.363 588168.3653 394200.2564 279907.582 4-Hydroxyphenylglyoxylate 80078438.37 91692101.36 77302682.84 6622191.654 7824038.178 5429661.819 74670983.75 86224903.83 87908162.79 7057959.003 7170522.327 6229756.952 103940008.3 108762246.9 97173812.14 9365309.798 11636140.06 10488791.82 Pterodontoside H 2205138.571 1063164.213 2245716.39 16450950.41 25832786.14 20557118.15 1916590.835 3563892.15 598966.6185 20356138.9 34468336.2 9799998.044 2940696.21 3092786.157 2686967.975 22659900.26 23141109.88 18972579.43 Sargaol 40987230.35 49025482.2 61136697.88 6006940.734 5799508.402 7415341.676 49350249.57 38859819.34 38366335 5909376.621 8358278.879 595466.8187 44627883.59 47370109.1 50974793.74 7574749.654 6267161.028 6042428.932 5,10-Dihydroxyfurospinulosine 1 8255279.015 11562035.06 7359315.181 393720.0677 112675.4483 1398199.059 12375686.3 10374796.53 9039204.393 1449265.035 331545.0859 1179705.636 13150449.3 13094891.3 6280469.768 1059259.383 916686.9551 1334954.6 Afzelechin 5,4'-dimethyl ether 74799487.36 83928755.66 57987889.79 182505518.7 102939129.8 100552235 80365049.47 58432866.77 121449559.6 140979727.8 144840281.2 922115888.8 70111241.63 38806223.83 80761975.35 100597342.1 350394281.3 152756211.8 Goniothalesdiol A 3534353.104 4371348.323 4977047.221 10008700.59 8649666.257 11680266.83 4243682.217 5731007.57 5949116.516 11730569.58 7352424.552 5797858.661 6178876.851 5392508.518 3393955.999 10554875.92 8212286.124 6941596.997 5-Methoxyresorcinol 58099590.49 51722245.52 61870692.46 120359680 96688813.42 122916783.6 72979914.8 53701826.28 47634964.8 92885784.29 90282257.39 103349866.3 42342889.5 60853657.6 58819159.67 114272972.1 112476449 101718575.4 Andrachcinidine 12912613.43 12627314.74 12039749.77 5165267.023 8333377.273 8184170.76 14047283.84 8874091.575 12346659.54 10262738.42 4451291.873 5778165.615 8348706.167 10568442.77 11116880.79 9030774.625 8698824.42 5943902.57 Oxidized Latia luciferin 22815029.98 28598023.02 23519908.72 24812889.5 27523005.88 31598981.41 25575531.13 24398590.73 25030272.67 25353843.14 30537884.06 23307885.06 25160143.04 20317905.36 23218880.55 25211194.86 28352160.38 23053846.85 Nitramine 63488448.52 145783200.6 61575990.21 132549292.1 74278303.74 82994429.95 72691633.15 120357136.7 71000905.83 74101093.87 78327301.83 63805648.21 67915734.47 55470585.48 60670294.66 68435512.16 138505379.4 62553525.2 Ilekudinoside K 31499584.56 35635067.81 27312876.71 2463770.891 2127106.807 1457552.262 32806400.1 22082653.99 24131256.86 1901330.161 2905112.071 1878166.698 29535421.08 30699303.92 36362940.21 2011883.853 4080267.842 5681190.422 Papuaforin D 30825052.18 73897585.49 16742610.26 1315891.337 2071651.307 2819445.568 45951441.65 32734802.67 21009452.37 846950.8137 2024682.139 2345949.202 56750693.69 56790987.11 27148608.98 4022204.785 2652485.425 456468.9351 13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid 5391241.537 7052572.198 6057294.642 16749953.17 10898302.43 14783404 4404793.574 7663869.667 8429642.78 21772273.48 17964483.93 13146451.98 1684207.159 9866166.122 6529667.753 27321672.43 30606799.49 17855782.29 Pamapimod 8564361.83 7992303.186 7677680.618 10682299.64 13001851.93 14955378.79 8276501.353 9660290.39 9336798.299 10518198.91 10874353.25 5649290.913 10094516.21 6408928.519 9812850.285 12300646.74 10152159 13101306.15 4,4'-Diapo-zeta-carotene 145762674.4 90172142.32 144755853.8 6209372.666 9849359.882 9635728.845 134302347.1 80626034.45 62966600.3 9387169.139 11491123.9 5698896.511 127771459 147165815.8 91223478.52 10012073.61 11694100.82 12039457.21 Ergosta-4,6,8(14),22-tetraen-3-one 33159541.67 40666663.28 36385001.44 436522.8699 446388.0778 269088.0545 35064225.68 50448635.84 31240794.67 1013571.084 1221387.694 1176319.217 45081592.61 36130712.32 29640572.48 1510551.604 861735.3401 479377.6349 Dihydrofusarubin 1103983757 1278213936 1140579545 20449737.22 2697652.34 1168783.641 1087814743 1475455116 1155934635 12624187.55 6255797.246 2958913.179 1643279550 1501912003 1166236669 10956837.36 5576816.878 1764737.975 Altiloxin A 36469434.91 18474875.01 34117438.83 71370141.62 75489757.81 81238188.13 29662085.05 74138155.57 17300485.16 72390366.19 78940757.32 68250212.05 63073292.82 34885972.44 30521398.91 88040761.93 98674038 83126870.32 L-Alanyl-L-proline 13568827.69 11788008.09 12259764.84 10738251.87 10122538.58 9914167.237 9830037.206 8193170.767 12011945.59 18037868.81 15098829.31 9642681.284 8605255.223 10046562.16 7048273.368 8298369.034 6767899.85 7957767.568 16-Hydroxyhexadecensaure 1408166.479 771192.694 717224.1194 2775594.046 3053103.724 3481162.283 732258.6152 602423.6249 1011663.283 3294879.804 5295978.241 2149576.089 642879.4745 1099380.382 392472.8077 3467486.856 2722421.158 2511524.212 Merrilliortholactone 1362049.301 1333260.386 1281384.258 3991418.759 6496615.511 9473232.28 495844.1237 1286038.442 531207.4203 7665889.91 5297236.584 4089297.635 1655286.77 1279908.429 637117.3558 8309810.326 6362236.073 5845590.585 Barbatol 3240156.622 2496212.025 3552771.812 9070913.652 9978987.044 9073115.356 4270527.509 2939266.033 3095888.665 11332635.29 7281381.906 9923151.59 2831896.58 2455763.1 3695961.058 12940854.09 6625421.711 8317336.208 Asp Leu Leu 28511756.79 26269870.33 25833710.9 30488005.96 26972516.43 35834903.05 16029590.09 8983971.273 24650129.64 57382106.47 72053550.85 33937198.17 13208335.2 18029401.79 10668821.42 21002950.16 18190702.1 31107030.41 Kaempferol 4'-rhamnoside 29413458.31 42533358.18 54533278.98 2538548.648 2831396.472 1202685.265 45019298.83 39631734.66 17771246.89 1921352.029 3246846.227 1723656.015 42220123.4 26868290.7 34074798.3 2039320.537 4386515.687 5818655.6 Okaramine O 107616756.3 120873947.6 126649468.4 112674.3791 2134075.936 1411260.886 113117524.1 110429172.3 98420963.13 230710.7088 1617037.157 1194452.331 114894235.6 102711837.2 79377380.16 1583412.855 1372211.654 1650551.063 Suberenone 24985688.52 26565180.69 23801757.61 8842217.169 7263117.581 5989408.17 23088803.9 25418094.81 27150978.72 6675979.459 10164163.82 7515385.401 29310301.88 32774113.61 28803877.68 8751729.172 11142992.04 9518449.876 5-(Heptadec-12-enyl)resorcinol 6979245.519 4393487.518 5435165.896 17633488.98 26287089.86 26084849.46 7258758.981 5198934.515 5856733.06 14648157.23 7695992.804 16689446.29 7210095.076 5409660.607 5793269.269 9603026.471 17124270.5 35082685.88 p-Benzoquinone 81608034.89 74545322.35 84210310.33 190849581.7 153459666.4 204478823.4 100789604 73571769.68 86337853.93 153490642.6 140188187.6 648794254.3 69482606.73 88268043.77 92891948.5 187209868.4 197089251.6 172671120.3 2-Methylnaphthalene 42591963.45 30516894.79 45135933.86 24972387.95 24724368.21 28691748.95 49001075.96 40027658.03 33085443.26 47713559.28 25674630.05 28773651.94 42759692.43 40979306.66 38548160.79 20516683.55 25875736.73 28275818.85 (Z,Z,Z)-3,6,9-Dodecatrien-1-ol 23386684.6 49668959.82 20469535.09 22434696.21 25121788.43 26054214 23514556.94 35039176.04 23064970.72 51807637.89 22489726.17 22275978.29 21118145.04 19655904.02 19424016.42 21193606.88 27883067.52 21873189.03 Chamazulene 39702844.85 41294128.48 66914487.38 43277417.51 37448748.01 111234109.1 58765407.58 49785105.54 30266042.27 36046478.35 45489293.86 40668793.15 53472020.61 45037850.4 47491280.39 57387048.24 45241411.69 55635152.89 Methyl beta-D-galactoside 17436263.59 10688205.76 9620709.583 130793879.6 117719067.7 142138608.6 26949256.04 9924058.57 12117297.81 105545049 85726902.17 124252009.8 5948021.216 18632474.65 25279904.82 117693552.1 128501302.4 108883671.4 Lactarazulene 17752952.75 19415600.19 26124032.82 16175762.61 17083970.16 19983626.84 27637319.53 20910871.68 16004012.49 18484335.19 19172877.28 7785840.024 25867484.61 22413892.97 22636299.6 19503259.62 16888043.33 16832359.96 Spirodysin 41147692.89 32348889.5 35680352 32686005.82 22539497.49 25808266.17 50849651.35 25605480.72 40231194.77 25253033.14 23373045.77 19872976.04 29660156.48 32407109.4 28994559.84 27076687.23 22438192.1 18998572.17 2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile 637830873 404609672.9 670505326 20541027.28 11062695.26 16237546.56 443139516 654897684.9 1101646289 8340204.093 7897615.686 23362824.74 417279168.9 638744541.2 592058575.9 7500524.543 22762985.44 5753398.741 Gly Arg Tyr 214624589.8 202182703 143981329.8 3337036.298 11040395.41 61546360.23 138064858.1 133890600 152101628 50535817.66 57810681.41 18779091.2 217605112.4 152358883 157164675.8 60977940.1 63974538.12 61306172.26 8'-apo-beta-Carotenol 6258686613 7516625101 5894067590 81157338.74 65244120.95 97462717.83 7377588505 6408815187 6383241721 88337636.15 128379193.6 3319739.776 7415761389 6890667918 6210746396 105053957.8 75906074.72 98394034.63 (3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal 129285240 206580588.5 232972637.6 9204504.431 5140484.213 2471923.069 203855777.5 193390196.8 113650728.6 10318745.21 12090470.19 5605901.615 236000603.6 123036708.8 223933580.9 16662508.63 16821562.43 15469258.82 Vielanin A 140713.4749 709471.8663 127137.964 1359260.033 132850.1109 891768.6282 306029.8918 590091.7773 1017125.819 1322420.259 913079.6888 14220797.06 454534.0903 709456.8831 478624.5236 16817731.69 1736418.121 9104490.93 4-Guanidinobutanal 3326182.634 3053482.694 2694121.796 929258.5515 1913477.186 2436804.092 2780588.004 2409903.103 4244524.983 2807670.74 2503949.838 2138086.472 2605811.456 3837369.721 2596589.916 3815865.389 2411243.721 1229231.731 5-Hydroxyhexanoic acid 1810770.885 1551102.402 1320502.292 100746.2954 264902.2389 175259.3692 1706751.722 1831596.808 1680648.996 68227.20202 153670.2117 116215.2546 1855410.116 1542822.511 1758147.417 100004.1309 95517.43645 52862.42692 3,4-Dimethoxypropiophenone 13632333.86 14862142.07 18415034.13 8810898.394 7061248.313 5648666.067 14797362.76 19808803.26 12757205.54 7204010.403 11095583.49 7879041.831 13065110.91 18152158.21 11836300.7 8177251.759 10697657.06 7661058.069 2-Hydroxycampholonic acid 11237778.08 13601443.83 14196873.04 504311.6338 386565.9389 1048130.634 9585452.531 13781132.32 9443700.697 553488.1984 557539.454 773986.6132 13256196.87 10097560.68 11370951.15 422128.6282 233335.4045 471466.5802 Anofinic acid 28406256.74 7748373.505 55035728.92 13499825.46 720192.8224 11102092.27 1605954.162 10672042.79 7149284.821 4082381.289 4042993.166 2863682.16 7623365.162 6100240.43 33827638.2 3236220.929 12630978.17 696123.975 Confluentin 29440188.94 35217733.53 34317003.48 227496.641 319604.8203 1522666.305 30405677.83 44705984.24 27114249.81 390527.3623 553680.4058 1176319.217 59606339.36 47033330.94 39225888.13 2030458.833 241395.7659 1223088.408 Bussealin E 19032355.91 5113624.187 20090443.95 23738171.22 17186577.63 14540928.19 18144964.9 13813425.73 19254916.37 17187788.15 62368576.84 20142352.67 9544065.793 13348656.64 16479534.76 33107046.14 33581811.93 32013208.77 Dulciol D 43669093.64 35647212.71 18992333.01 27925111.64 50772983.91 23899551.06 20519217.06 23177564.57 34466908.44 50869618.64 73999261.85 25030825.43 25938099.51 20188491.22 22925460.32 37711998.36 29175431.49 29507203.54 Indicanine C 69068377.63 41918788.02 42920224.9 5989080.053 8661953.553 6863532.784 34689512.65 44260087.16 34074307.47 10196539.81 14078642.2 8612229.431 49653118.66 41933443.12 45566824.35 8302808.119 10914938.91 11784608.33 Rugulosone 33363701.72 67309067.96 38150141.88 2946629.787 443779.5476 1610689.492 32965460.56 33871225.14 26158969.5 1584086.266 3980972.145 1621335.765 81007715.63 79676557.74 37550157.67 2335133.29 1120618.144 635832.6728 nor-Spiculoic acid A 52322691.78 51295900.86 58425703.9 1358298.28 692374.2375 1522666.305 43923310.99 41858332.51 39137953.34 158620.9208 175995.3729 1176319.217 76614950.45 54294838.98 60307886.56 925815.8994 998772.4582 286319.2183 6-Oxoisoiguesterin 25577512.59 29294794.24 24864052.51 2003369.516 1110057.012 1411925.626 32606930.38 27670309 25586951.34 1500724.783 2043969.936 1876655.477 29526924.61 32486826.59 25117656.51 1512551.494 3620064.39 5545830.675 Dehydrobisgravillol 14186647.4 14655127.44 14411745.19 638830.5876 408406.0181 221371.6897 15167156.77 15393239.19 12122234.73 881060.5157 983339.1053 1176319.217 16398507.3 16164408.95 16945451.57 1936819.708 446637.9492 1146194.794 Myltaylorione B 1722659092 1486093411 1807621886 109603630.3 124009962.5 124834067.3 2825249440 1286246755 1289978561 115336307.5 169030369.9 30904458.59 3061479545 1828877619 1876285426 112905591.2 43824307.41 153387982.7 Isovouacapenol C 8985261.333 6360632.335 16613857.4 1967977.254 463136.4122 356975.7865 8479757.39 8302955.35 3761133.267 1583468.049 2632095.967 1937801.71 3581372.26 4841011.776 36716302.61 3355552.877 2101072.012 9938276.794 Arieianal 395020.9439 544033.4511 187235.0739 535049.4533 809539.6683 1216697.359 106041.919 66184.25208 63423.31052 1075135.596 641511.225 1247256.33 279021.1748 350263.0455 166728.5725 974545.7956 154939.5325 1161378.408 Cumene 52740957.56 60955107.34 53169964.41 57131920.29 66197950.51 70718519.89 57873626.19 57947774.41 60917335.55 127120704.6 65996201.46 56474460.38 62445574.34 46182917.84 56325493.26 121331734.2 63096065.04 51404563.61 Phensuximide 18723835 16448355.96 29876143.36 8954815.478 7395295.379 8494307.919 12970730.5 38660902.02 24620436.5 10169112.65 9018906.329 7926023.546 18889267.93 18899849.59 22946458.14 11729462.96 11137800.99 9035800.025 O-Desmethylnaproxen 16415687.87 18191274.23 16284370.39 3591992.278 2892785.003 2732037.913 14943354.47 14135569.71 15623828.53 2783384.815 4890225.185 14343498.74 18467303.69 17157190.49 13132593.73 4385164.62 5996698.719 4896052.072 Estrane 1029372591 1350121438 1060326788 1169043913 1289921674 1420216436 1158414604 1153732959 1204522962 1242129384 1305356733 1162414294 1172449992 972847515 1019705107 1161257243 1275212670 1114020368 Asp-Asp 159807462.4 236927820.9 233553829.6 13135177.96 17835233.23 14651159 289945461.6 396072126.6 179530271.9 14087482.76 9763604.353 17131930.02 365967578.5 182872276 238234666.2 32449210.3 14595605.86 38952185.9 (S,S)-traseolide 48797887.39 39337201.49 49144998.34 72168822.3 74827799.38 121728990.4 31094159.32 22599549.71 36833996.4 108927153 38174499.28 146723014.5 52860951.87 39070291.69 19105141.39 81078044.7 104735426.7 110195512.4 D-Myoinositol 4-phosphate 32585985.54 13275668.95 27420105.51 105080675.7 65410321.12 113573789.5 50801679.27 12116360.9 26309715.34 62497506.82 55842896.57 88682327.43 6150866.025 23380201.56 25140760.52 71910115.93 113272956 89308074.78 12-Acetoxyeremophilene 82719703.81 19626958.73 26691619.3 36279093.93 18542989.75 14308322.22 38849445.49 45671629.93 30822868.21 13834277.51 12736733.76 31248614.48 31568137.58 25588924.95 42953362.39 17246996.92 26918910.79 25819089.23 Capsi-amide 175616255.5 206269876.5 174875553.6 105521501.5 118207095.5 138620300.9 180264168.4 173455110.3 180388027.3 127077501 122843787.3 107400647.7 182544042.1 194005475.1 165340240.6 86149940.29 125503763.6 134912465.7 Callytetrayne 852780.782 2443261.338 1282882.858 3058841.545 4428457.002 3216983.701 1185924.785 2730807.406 2306944.876 4682300.385 5305148.09 2772707.729 3357848.175 2593470.836 1302085.48 3148636.075 3004016.733 4107704.556 Obscuraminol A 164585992 190995352.8 140435372 201944672.1 258236058.6 214835807.9 176760833.8 130953121.3 173849687.8 289756990.3 153224582.8 173916488 212349871.7 148540071.1 139194837 267856395.8 147865674.8 137760975.3 Phe-Asn 37947074.41 32476633.65 31383254.92 29502603.35 26913862.18 32992123.53 20875418.12 19944224.07 29370211.32 35992727.86 43140062.21 25097669.99 18582647.72 28746511.66 16021660.78 22348592.4 18590753.25 22186770.25 Xestodecalactone B 2352829.784 3018762.559 2556921.714 4353627.923 5527717.287 5998794.888 3412702.083 2944838.842 4825774.89 5336877.448 3799131.657 3586161.193 3874329.122 3031365.674 2108566.699 5999462.309 4752014.031 4061009.256 Lanyuamide I 45286637.23 28916290.11 35756025.53 85440785.65 62306284.1 64440007.84 53497618.03 42557128.76 26665663.65 79646705.46 68917180.47 58303926.35 37020060.5 38137977.99 33009726.84 87723345.55 64491655 70403748.26 Embelin 147005.6693 165018.3406 512841.8706 1552045.414 1509136.869 1284141.026 624279.9116 358248.4054 244710.1472 1708443.238 2267964.812 1419354.623 311422.5542 319018.6631 186091.4357 1247657.43 1193058.948 1363351.203 Palmitoyl N-Isopropylamide 27890986.61 27990585.81 18881992.86 11933557.11 14282362.92 16955812.12 30142761.59 21125728.25 22574795.94 17600991.45 20271509.09 18317469.28 32152761.2 19882590.3 17697609.39 16834066.59 20094110.6 22824300.33 Murraculatin 1377246.899 1570463.605 2464129.129 29110819.41 33029135.81 18749593.62 1400027.632 1168104.129 2090497.723 50655904.84 49576030.37 26856577.33 1477785.207 2062695.306 2050107.588 33048619.97 23943648.99 26975347.67 Hexadecanoylpyrrolidine 9816836542 11072938424 7990636189 7655797618 6754174380 8917014086 9727108123 8667036753 9616604089 7893414895 8564065023 7853235851 8952154409 10549953269 8363871363 8007478846 10212888964 8252941879 Tofacitinib 5397373.509 2255399.577 4646754.197 6288107.549 9604695.503 13728088.25 7125030.137 4393928.351 1659425.841 10375372.97 10971820.53 11288175.26 3537820.986 2840926.684 2824331.953 13455971.11 7418564.551 16638483.56 3beta-Fluoro-5beta-pregnan-20-one 32010570.24 38559832.35 27886986.93 63031621.62 43522555.11 48238327.46 42361834.78 27641764.08 31810043.01 45363198.18 34529882.91 37305267.63 38442862 29587768.72 24415118.59 579076.9156 32212434.41 36234300.84 [8]-Gingerol 27206873.11 16104854.75 25922372.84 83634585.72 95035279.18 60592915.12 21734750.37 30322713.84 13544204.2 66543687.21 49757520.38 80344508.92 18333157.02 20723774.44 21111968.93 59632247.7 95018165.81 93480305.65 Decylubiquinol 19273230.17 8895607.823 12871002.6 51068356.92 40572365.94 51981339.61 10146359.95 19444212.92 6363761.424 58038200.71 47271652.08 58385936.71 5917884.944 11548152.48 13601749.7 46543221.34 63007719.35 46176819.07 6-cis-Docosenamide 2627472947 1923139439 2035636703 1638505513 2946087252 2392387264 2325565638 1461730861 1408088104 1342487260 1554297827 1370048501 1453293768 2885950079 1071435061 896070273.6 1149794988 2727575404 Lys Leu Ser 1856780.614 2383717.339 6648598.163 4707478.932 12409433.61 9331805.675 779872.1094 455076.5714 2157243.146 8357597.859 5767474.017 13953297.61 2539107.904 243305.9543 1799545.354 9534145.429 9402563.638 21927327.83 gamma-Eudesmol 11-alpha-L-rhamnoside 17876774.65 11797859.51 11075702.88 24309423.69 40010755.07 43810115.45 18132028.25 14034360.39 15351401.29 40876035.38 23510654.13 43720987.31 12679252.12 12868026.27 16297322.54 51334075.44 56171463.25 55487029.13 2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate 2917168.67 2337053.539 3084223.971 1574712.97 2130325.784 2184250.316 1639237.958 3089118.272 1897922.954 2908300.388 1811052.479 2373918.806 3730791.553 1996367.194 1959312.983 1955151.674 2523524.871 2129230.79 4alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol 63486143.38 60475419.89 85995096.85 170396069.7 105023164.5 135084018.2 67184257.68 73663100.38 158008867.3 180473197 162591465.6 128479220.8 28332583.58 184095000 66508872.65 255985403.6 234011433.2 140507381.7 (-)-10-Methoxyvincamedine N-oxide 23956330.71 31915843.21 11299247.24 18564889.31 37058597.4 37297867.97 56956515.79 9064573.27 45006686.6 38859657.7 26610561.48 21879101.7 24937167.36 17420552.19 37631694.97 50594899.72 18745888.68 31553026.74 Vindoline 69623551.84 63617897.45 33397464.76 58792818.02 106798048.9 153251595.4 140532286.6 29212299.95 77298134.36 103541857.1 62141221.87 106938380.3 53627175.07 41960012.78 74862131.44 158449300.5 75597950.47 128981974.5 Palythoalone B 44962354.66 79689692.14 49920456.51 2837192.556 8937677.174 7373385.647 87003427.23 68875260.32 57012338.29 8598483.226 2987019.981 5079693.912 156504993.2 78064931.82 67132357.94 10384706.66 3075247.266 7511712.778 Okaramine Q 15754960.67 21762729.42 14655425.15 2522081.002 3446087.921 2394610.095 15339157.52 17771355.34 18762131.64 2862044.148 3364746.37 2005164.957 24452215.98 26883445.04 14271783.11 2757990.529 2728556.192 3697302.487 Dysinosin D 54062566.45 156759706.1 56261308.39 23678010.57 18829820.97 66802463.83 102258504.2 109674747.2 76532106.78 18950600.8 14536060.1 40158211.09 212186792.2 87470006.07 69610772.42 51183820.35 33085354.14 67381323.44 Chichipegenin 9872703.697 23559073.27 21691798.42 6872836.611 10062940.22 7263083.82 5035783.395 29585519.09 14731809.66 5729960.836 10155420.43 594884.1905 19378234.3 6445672.913 10558572.83 9443445.946 9572656.058 9071705.215 His Leu Gln 27861022.7 31986448.82 42560990.09 110026107.9 183588264.6 195388290.8 33140739.48 47070630.71 16879706.83 197696615.1 157313280.6 41695923.81 39385546.19 28399497.98 44518750.56 193636071.5 289318389.5 258246544.7 24(28)-Dehydroergosterol 2228428.063 513629.7158 502196.0511 4587317.023 6669658.751 6571819.254 3908828.753 2904860.854 647047.2804 23717899.65 10999444.51 37230405.88 1408704.398 1588052.043 64410.9521 4402889.554 10896129.66 12534271.49 Lys Thr His 52795883.92 24959620.02 47680846.87 56239293.99 86440063.4 195645916 27317277.5 30304033.62 37508823.08 94262031.07 86862993.21 59310010.09 22265968.03 34266280.46 32322118.33 80185091.15 77401260.83 80501776.71 Pro Phe Asn 7102887.04 5380206.199 2838601.939 8934027.242 1706814.349 1875784.2 2825514.712 8885582.246 5076718.902 6956062.388 3385620.2 4196654.023 5184997.694 6759385.998 5119028.934 3590852.43 1831819.947 3052488.817 Dercitamide 172815793 258776598.7 126700879 11750027.36 18916979.62 18440632.64 216601389.5 162859554.7 217919191.4 21199625.22 14195195.94 16257870.31 203541654.6 155084010.4 120177907.8 22119139.73 12871448.74 9857378.515 His Gln Gly 20232788.25 15480676.53 19892168.11 132652021.6 227806522.2 327892201.6 14906870.58 16218160.96 14661645.63 249801623.1 186639454.8 148352050.5 19052725.81 16417468.7 18362783.32 394933456.6 237506503.8 190015814.8 labd-13-en-8alpha-,15 diol 21270683.65 19377621.17 25933405.3 2502604.678 1346796.711 1598974.746 22266336.56 24484475.49 22622004.46 1959964.939 2655714.785 2028978.496 31285654.9 28066275.78 17347125.09 1875572.947 4060331.597 6006913.316 6,10,14-Trimethyl-2-methylenepentadecanal 10982426.01 15198428.45 11256860.85 11802063.9 18583491.69 19487084.68 15979729.56 11215164.83 13003542.9 18791742.8 15365207.08 8461623.835 7498325.648 7670329.809 6340597.821 16035159.96 8217672.265 13067540.01 Damascenone 22789307.46 36549501.74 35675257.22 23576935.52 22133784.46 25060742.76 20233412.51 45178701.93 37383816.93 22278335.45 17847949.52 7023073.901 36790879.43 40613578.5 36890311.74 58401193.92 32440557.4 14759401.38 Codlemone 1834827.729 2315767.404 1997335.623 2439415.735 2245803.535 2589411.238 1825290.677 1621001.3 2463167.644 1992314.803 1964115.512 1819468.307 1032352.832 1890388.801 1714760.514 2012537.379 1702752.941 1785490.596 N-Methylpelletierine 49834372.75 54269200.46 38274963.3 46565772.81 57507188.35 64293575.24 54960189.47 39232007.25 51323676.49 65212841.54 47321883.34 52845523.16 48074493.45 44473495.91 40984401.91 54507639.99 46383047.23 44913463.69 7-Octene-1,6-diol 1808595.783 2547144.408 2259342.341 2522081.002 3446087.921 2394610.095 2531012.441 3016002.04 3090544.387 2862044.148 3364746.37 2005164.957 4673856.317 2719148.735 2627779.062 2757990.529 2728556.192 3697302.487 (+)-Allosedridine 10221100.39 7872894.834 6248939.453 18239479.36 10088783.4 18742365.43 9231869.791 6912125.641 10812156.88 20140807.68 17354925.87 14232416 8020401.721 8648317.175 7950370.117 15831223.48 17038926.11 10728640.05 Dicranenone A 31306871.84 18143289.49 24270136.98 138752303.8 97363950.84 97303098.63 27332857.42 32282524.66 8892774.283 75188882.95 61972783.96 108030585.9 20628383.7 22390794.23 22398209.24 89646550.65 129226743.4 128736197.6 7-Acetoxy-5,6-dimethoxycoumarin 136761.7277 1199442.657 1446198.623 22350831.48 6928587.984 5692839.453 153524.492 1429540.531 270984.2881 50924101.33 19668883.63 18384129.19 1682153.393 145353.7011 113180.2868 34772989.42 59755258.9 55020742.34 Adriadysiolide 88397258.27 47446665.82 143672920.9 59311913.6 22267887.28 24832754.49 74097969.99 94472416.29 60501121.69 23923646.45 66435691.67 1037470.482 51934820.99 67977889.03 237099437.4 31594646.33 252375940.5 220121146.3 6-O-Methylscorzocreticoside I 488718.9692 715523.6289 1849486.504 139953073.3 144655993 124410165 3052970.858 1341378.907 427529.225 119969833.1 126206283.2 194955773.2 148791.5108 1516644.842 1259672.914 104402955.3 87944842.99 78023254.02 Apo-10'-zeaxanthinal 26417190.03 52736118.11 39049412.33 983656.8315 333931.7304 423347.4986 40589569.4 61484390.67 67462473.45 520385.4285 58800.74934 1176319.217 97149371.48 54572062.84 52681831.92 666974.3979 503872.8101 1223088.408 Glu Glu Ile 16020226.55 12373658.42 11669711.19 16412770.3 13297190.87 16442542.57 9949915.65 8157333.948 11801264.63 17841764.83 19682172.81 17400837.9 6883428.136 10241533.72 7277353.617 11320095.71 9149133.317 10321797.13 (22E)-Cholesta-4,6,8(14),22-tetraen-3-one 81563253.96 103661379.8 52914153.51 12929745.71 16725958.69 17145322.77 59159599.25 55438402.4 54444453.3 15962821.83 18502388.21 2377184.98 63777565.57 88803535.38 47893976.5 19520740.27 14469353.64 16454035.87 Trp-Ala-Gly 569113.4389 8042720.978 5310529.386 9708097.036 4906288.8 9399410.928 3984676.83 4298364.32 5345491.398 5751814.447 6024319.567 5061134.116 5214347.216 4554283.104 4530555.413 4050877.366 5319742.174 3741783.13 (9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid 182368940.2 107356283 155519975.4 507433949.9 621391891.8 831936778.5 255249296.6 168127485.6 124450699.4 693781056.8 627188073.8 408771885.5 99067256.74 94649810.66 133336737.8 526973944 662448056 640384754.1 His Ile 76548954.99 32819092.87 26945880.63 57178650.67 49189853.99 61720858.81 54699893.64 22201181.38 43817101.63 66069956.31 75794267.34 46621989.26 23849559.42 43658597.52 24107876.9 41266862.62 33687798.87 48680913.96 beta-Alanyl-L-arginine 12632391.48 11830298.52 10127235.44 6753197.783 5592670.407 7013146.76 6810575.528 6423679.824 10926990 5459447.511 6925718.087 6185856.557 7381215.926 7877983.344 4417582.518 3950117.254 4346810.792 5310474.11 4-Formylsalicylic acid 65062459.18 76249491.39 68323669.48 4309628.64 1181981.116 1589925.748 70656038.89 67574209.8 76434843.15 3444741.464 1834791.161 1415099.478 91540446.54 89912604.47 56499478.27 3063033.07 3900559.229 4136313.539 Thymine 85551030.44 36635900.53 61732793.56 16706488.86 15359866.23 20920348.73 70856586.8 115981103.4 101285817.4 29083849.16 32123521 30954135.88 35524331.91 46612832.47 52412498.65 18658601.35 23223179.99 12843352.71 Crenulatoside C 26966370.87 30455644.25 13627155.7 17401845.69 20248923.52 23480906.69 43220959.5 25140105.51 68018904.16 142949.5628 26662485.2 22419724.71 47028696.9 48608036.22 34622510.51 20381977.96 25207476.62 26393430.92 Malonyldaidzin 4970141.376 114161.9075 2062781.169 35494202.23 25242040.02 11633657.52 1614577.004 747383.3396 6453940.081 19884325.62 39302429.73 29298125.17 504931.2185 1668965.926 4674425.506 13392098.89 42290615.36 31376397.78 Salvianolic acid G 1098750.492 1230399.539 1155425.846 3491595.259 1444517.355 761158.9137 1685662.897 1309403.085 1260017.526 968517.2354 2728769.026 2994109.495 2006872.588 1226146.581 66063.0758 1345292.885 3824634.247 2311757.362 Decylubiquinone 37209645.9 15815677.97 63548946.59 168242122.6 112767834.4 138893004.8 48505795.16 52041246.47 13424589.79 302452648.4 119132890.1 23736671.42 29502861.71 38256194.7 49829634.8 121536019.3 175698134.2 169151401.7 Suprofen 20380352.99 41416738.68 19341159.64 139877075 33491387.22 92240663.7 36435927.72 36303621.46 60255329.4 20283731.14 52329255.92 33366097.3 17764571.92 44282948.57 33310313.21 62403738.52 52240366.64 38602384.99 N-(gamma-L-glutamyl)-L-alaninol 36013353.82 36805519.03 37595461.56 62128045.62 38057015.43 57046896.99 33570763.5 56506293.09 34756630.46 49345165.35 69411771.12 52932081.26 36863960.77 41627938.98 35695963.82 46820881.73 41174174.13 37596807.83 Leu-Gly-Gly 42703540.68 41421816.86 37834725.16 29071068.5 23060517.18 29328798.48 25453790.9 22258025.6 35700267.22 27298173.38 24753811.05 24843178.52 25843462.3 30555003.96 18460580.24 21141288.7 16533547.06 18929214.23 3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl 23620897.74 21930735.66 23833817.4 332101.1098 370510.1963 408984.1633 39429416.77 23589918.09 19908366.72 485920.2769 628591.1472 1176319.217 24018964.52 26443603.79 29553546.19 466177.7531 594471.7062 185897.5723 Yaretol 51318962.27 20956116.25 39387773.07 112178885 98825312.5 82588018.49 37220417.88 35350197.4 19242622.01 105752499 48656006.64 109511724.4 15212730.29 22859731.88 26901540.46 108605327 166378646.2 128383452.2 N-Isobutyl-(2E,4E)-octadecadienamide 40279927.27 29983546.61 20900117.83 13064885.43 40848607.68 26811216.05 39086175.95 16570255.54 16345101.29 14373658.77 15682307.59 15690633.41 14577174.77 30408167.29 9714336.155 8578881.698 8736952.37 46067754.47 Docosanamide 25279424.33 26748103.36 29062206.98 27426000.77 30597808.22 47352547.22 29965510.48 22347600.64 21383112.16 30091424.02 20724114.36 22738378.58 30622876.63 18875731.74 32355037.42 20027068.95 15161845.34 21195030.13 4'-Demethylepipodophyllotoxin 233992.2364 211891.0869 1446198.623 6103317.468 6321984.836 4610176.21 107134.0814 435761.0198 1135338.356 9096395.119 7782737.187 8356552.19 1682153.393 138239.7214 94038.91588 6076347.789 11209228.59 5552308.824 Amphidinolide B 1571784.614 1139139.348 1195071.803 841737.4341 619243.7459 1070571.285 1138728.588 1206877.38 741020.3333 687946.6884 1620381.789 1455349.198 916081.256 613041.0699 759000.5571 1570426.668 1446837.206 1753084.666 (3R)-3-hydroxy-12'-apo-beta-carotenal 12595148.41 20100782.1 16546182.32 158293.2608 103721.8761 53105.01458 16954303.24 23965722.55 19984298.7 401943.2256 1531075.626 1176319.217 37195587.77 23639211.34 22578804.62 1025066.189 935915.577 1223088.408 bis-(4-hydroxybenzyl)sulfide 16435667.13 10767597.92 9205962.278 499962.3119 35705.28339 1522666.305 10154547.78 14971814.21 12650825.89 26047.58884 598023.5977 1176319.217 17163530.6 14650967.49 9577359.18 43853.83573 935915.577 46521.41131 Brunnein A 47102640.32 31457776.62 51487894.14 130371818.8 112333518.7 207758573 38123758.51 65396361.87 82641228.61 124978183 215061109 154620327.6 78080431.59 43661827.9 33487971.32 278637426 147768881.5 130147839.2 Cladospolide B 13832800.28 11441700.5 15442688.92 19118646.58 22896863.19 22031586.94 15878468.41 14526122.98 8853416.023 19619910.95 20194618.28 10921655.23 12601628.11 14863785.45 13665086.33 25843480.83 27358937.8 25442739.58 tridecane-3,4-dione 27093659.6 22619453.01 22178126.2 379017.6596 73082.38414 509493.9919 22573360.59 24237965.69 25394937.07 231887.3837 582155.5066 1176319.217 28966506.98 31117113.41 23024516.21 338103.4949 298236.0069 1014645.402 (2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate 11818002.64 17040777.81 21794422.5 4693267.712 3336551.868 6450261.693 20701848.79 24948882.52 14275118.33 2359653.981 7336175.345 4709427.217 22232575.38 15209737.17 17516314.62 2636161.115 1815156.4 2312492.793 2-Aminoheptanedioic acid 226519252.9 249263347.9 226297207.4 118748557.9 47584183.79 57313949.78 203824814 258746377.8 215215378.1 58375807.44 89269679.11 49390980.76 328625131.1 332304450.2 235512960.5 148111551.1 87599096.99 43236390.97 Terephthalic acid 8182992.495 4616198.854 5397906.864 514578.5294 124584.0679 367891.9974 5235780.099 8435569.981 6426965.483 162291.1715 261226.9471 235368.8121 7252863.74 7735327.282 8111061.739 193134.7237 114728.8908 287418.3593 Glutarate 22037016.02 21494127.77 20842775.55 11865967.85 11137677.69 12587065.58 21321887.33 22687948.74 35710107.18 10413408.14 8417894.63 10073015.85 29276367.26 36040764.76 20283381.27 13858386.47 11456116.12 9709328.735 Kermadecin G 2813543.786 5788518.184 2469307.342 3058841.545 4428457.002 3216983.701 3589332.339 4374053.103 3426300.704 4682300.385 5305148.09 2772707.729 3263116.931 5300364.462 2049287.13 3148636.075 3004016.733 4107704.556 Colneleic acid 294076245.2 122885609.8 228515504.7 1104841699 1138680862 1049039415 357027065.5 257615111.6 120545899.9 1021510534 617384593.7 1394555798 115765239.1 149705987.6 197654767.2 1280235347 1690719278 1678105946 3,4-Methylenedioxymandelic acid 26726980.44 42370477.3 23809428.38 9900752.732 14199707.7 14686961.06 31020857.86 30319819.72 39884432.7 12269184.75 19260393.99 8890083.474 50904649.42 34603057.96 18400566.79 15723405.85 18343409.56 18772787.08 Cucumegastigmane I 11689927.65 5985833.684 9474231.305 107245764.9 114850513 155324308.6 8277733.236 15516993.7 6337995.826 103479091.4 59409199.25 69489607.32 10614451.62 12248962.13 12230733.48 130361962.5 102244896 93389339.77 Yunngnin A 409047.8273 299641.2097 268456.2076 11395039.32 4515517.248 2233464.953 689827.0251 808586.8144 959874.6922 1982764.826 6496751.163 3774390.858 82008.34306 315683.6852 155034.6066 1287356.927 6740235.752 3933767.495 Zhankuic Acid A Methyl Ester 83865058.82 29040808.66 49827919.94 9641104.637 11724554.74 10296931.92 44364830.7 15874983.15 27442706.98 18006535.8 15262305.35 7229968.266 19283015.23 31856943.25 25838876.36 16711191.95 18418436.61 17275707.34 1-Hydroxy-2-naphthoate 27654516.66 26572833.63 26871814.83 9970019.495 12177292.1 9164896.638 25495737.43 26782233.31 28480018.26 8137881.606 10087483.29 9291641.964 29723461 32308137.22 29700811.68 10694267.84 14417050.05 13645057.15 Phe Gly 26798491.85 31038602.79 25240205.57 23157312.49 28664128.75 19631326.51 16867315.83 17396999.38 29482289.64 19407131.76 25359436.66 16963718.95 21301699.53 23703705.87 12830608.77 14102947.1 10120618.36 23897803.14 Falcarinol 19259819.75 25986503.29 36688214.37 33438036.06 30265143.38 33467185.24 20818811.92 48118732.83 22417356.19 25378195.97 24929471.32 3235883.334 32698237.03 17531919.48 27197167.52 32478577.73 35525835.7 42183466.65 7-Hydroxy-2,4,6-trimethoxy-9,10-dihydrophenanthrene 2766118.205 1988336.89 2940106.595 2070676.03 415151.1793 1381655.551 952131.7682 1430502.943 2075782.469 142611.8197 4080706.167 1012666.957 886221.1793 2023603.947 5896000.019 422250.5475 3642079.364 6021326.697 3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol 15701084.9 18235941.75 17091689.17 2420987.89 1223057.298 3459747.794 36415293.52 17203682.25 15610002.3 1768032.256 3730604.487 315689.3953 18546382.34 16719334.97 16371483.78 3708449.463 2293950.74 1725500.094 Leu Val Asp 28388545.47 33110500.74 25250939.43 17875715.53 14970371.05 18350010.52 17824617.3 21438983.87 27624666.97 19188843.19 21981797.1 17383475.05 33092786.82 36998693.62 16228675.4 14838079.16 10915728.13 12285399.29 Pluviatolide 56417477.63 35245143.91 46978493.48 71020370.43 55138313.74 40399178.48 58603499.85 20578240.91 25523372.63 49065082.62 85967870.86 62574847.46 8470146.925 30876637.47 31770440.5 62216933.89 95213754.9 132807424.3 Glu Val Ile 46167001.55 36237416.87 35496674.7 35498646.56 21249478.68 24791855.1 15379386.4 18892634.79 35976374.88 27454541.25 43624422.16 26863684.54 14373935.33 27218366.04 14879854.95 14735697.05 13034172.62 15219962.89 Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside 29604794.89 23592465.37 24210912.17 2538548.648 2831396.472 1202685.265 34467895.68 15968642.5 28212571.34 1921352.029 3246846.227 1723656.015 17438398.63 27821277.8 25573865.79 2039320.537 4386515.687 5818655.6 Savinin 4284836.745 3609149.402 2836660.541 9885354.308 12202428.35 10361677 5110124.283 4000643.233 5017363.263 8798799.009 10671822.81 10441860.09 5670775.491 3514378.545 3009137.321 8642653.56 14270120.22 9724492.836 Cassipourol 3052310.044 3933259.544 3494475.299 1925940.479 62771.99173 1096811.395 1862292.078 5667899.623 2216075.053 61249.58892 1307128.581 92235.78045 5327473.423 5686500.035 3907160.145 572076.7995 600382.8051 59713.0912 Andrachcine 2626966.535 2821814.916 2150650.164 204878.8392 427230.8348 1154520.593 2741652.072 1814644.376 2807111.565 1050613.75 389178.0001 1098241.583 1933527.319 2592436.034 2313655.153 775459.0965 827859.6649 821023.7623 Dehydroeffusol 8130784.825 5930878.589 5657221.872 1019035.064 2634871.733 1872279.506 6213449.534 3869512.727 1272120.018 847649.1165 2463290.109 484879.8366 780482.875 2214638.887 2245532.177 3073328.948 3737297.16 2882771.801 1-Acetyl-8-hydroxy-beta-carboline 8180158.099 5923841.797 8654401.258 22310859.47 20032503.38 35745926.23 5914378.43 11239250.96 14854102.82 21986874.55 40737597.72 27375442.82 14506395.31 6702990.984 5901721.472 48723267.82 25524427.43 21923151.44 Lachnophyllum ester 4598440.163 4745177.893 4253077.572 5790938.003 4985189.298 5159748.434 4578812.811 2531179.169 5577479.041 4715649.542 4555086.201 2236014.44 2270128.842 4595528.961 4369933.238 4967380.265 4053672.89 4060621.815 Toonaciliatin A 2082419.68 665090.2706 573798.556 13920085.59 16897026.94 9941295.468 1558877.489 497616.6272 283499.8739 13182511.06 29217162.92 12829123.8 295126.648 985880.4716 624582.6784 16870922.49 15136793.06 14251123.16 Revandchinone 1 5072547.782 5829386.404 3853042.761 1288974.658 1174179.266 1367164.849 6786003.831 4704862.039 6038544.269 1587327.486 1632383.384 1238390.129 2568839.673 5233934.19 3378647.972 374246.653 1291313.423 1685460.776 Muscanone 29031337.13 37813859.48 25854522.6 162066.8694 715134.959 1085399.087 36332927.14 30871841.68 23020553.66 789761.5211 1302105.631 1176319.217 38853602.45 27997366.58 25120011.85 905515.0515 794110.0343 670871.0108 Lysopine 25684640.07 35520988.51 31570640.61 14084213.37 19651302.31 25395424.23 22692766.17 13904645.22 22204444.23 23288872.41 16171401.44 14139861.74 12574028.09 16655445.48 9467140.769 15957003.67 15582132.61 7566636.666 Cytarabine 43448023.11 42708034.12 36848667.14 13512076 14627359.08 14268190.38 31074594.81 28097946.76 32273396.1 20110000.83 30724828.08 19802095.06 25967257.05 32243851.14 25114388.77 12694726.78 9956021.256 10218601.39 9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester 65447811.19 37650642.45 66678293.75 37395823.55 63576073.4 113124001.7 77893412.96 96395080.02 44565247.76 164829785.8 53987675.01 112386103.9 50677232.09 38641917.51 59700194.83 107285689.9 105218606.6 80454585.33 5-Carboxyvanillic acid 22823264.79 13666760.19 20973705.27 3849914.077 2281665.732 1895091.372 17892603.99 35693659.46 22806820.03 2374922.737 3037601.657 1895365.929 19927696.14 26203070 21007417.61 3201606.609 4589634.694 2909476.592 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone 22052339.91 22831152.08 49966927.99 6075502.896 986125.1297 455545.5153 15410238.5 24701694.72 23090400.71 1064395.947 3764738.792 1024995.77 20263233.46 21169282.67 25608927.67 523240.128 4486497.193 3177271.288 oleuropein (dialdehyde form) 87503266.3 61837851.11 312654028.4 75095221.77 13657484.71 10855931.33 104703146.8 158013285.6 63583677.28 24269645.64 122711118.5 22540699040 94422853.74 111115557 273512652.5 1924175.239 83549942.24 27688718.08 Lecanoric acid 63848275.33 83813676.76 80706431.44 91713796.18 72765566.9 70197215.81 46507730.28 45305319.43 64527019.19 49376209.56 81265496.91 80362974.76 61984368.74 33907134.18 66378131.64 81069436.45 89448726.67 82329218.83 2-Methoxy-1,4-naphthoquinone 2410072.926 2852842.083 2673769.523 3613261.375 2892428.705 2913815.991 2098099.647 2423548.049 3112010.689 3011211.198 3266287.31 1282698.651 2555292.934 2881100.283 2600870.702 2950619.359 2814008.635 2137168.173 (R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one 4109618.255 2745521.141 2814099.019 6757604.157 10256825.54 9220089.154 4192799.738 3275900.486 4375460.851 7664074.955 9160914.179 8435654.221 3010757.91 3408698.76 2602814.966 12097199.38 8994361.779 8479620.702 1-O-Oleyl LPA 2810759.341 2277577.978 2833265.856 377002.6235 1501019.908 1489487.177 1730604.453 4189516.26 1566218.8 1904684.058 1116100.251 260061.2413 3342884.657 814871.4398 2078027.656 1583678.093 1978615.377 2383528.342 5-Methoxyxanthocercin A 1248204.335 1324426.252 1815314.747 39610836.35 10058307.41 4219151.006 1402904.632 1288506.406 457428.9222 7367682.593 16431504.02 12861172.44 1502150.435 1102890.049 1558016.437 15026796.2 48953288.32 46272748.27 cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside 79823637.22 122641721.9 89592122.75 17028665.27 6489765.086 3797771.049 89677507.76 97991271.66 101924912.4 4274764.285 9353969.802 7525654.525 116308862.1 145841197.2 126952249.5 5811431.988 19335949.03 9639778.35 Picramnioside E 14569499.49 13238057.93 5941189.28 39804957.82 11337013.28 6553945.595 454575.8993 2793912.971 9603466.398 7141151.224 49839928.87 20750267.83 8916592.052 8460369.588 10282566.02 13290715.06 73113435.25 76281268.9 Sodwanone M 19210790.45 17994398.4 25149517.95 26917206.18 23790324.81 17791169.88 20930730.43 19489006.79 22965590.16 24997110.75 28790937.7 22216456.54 9772362.645 21072614.94 23344525.46 27135002.6 22214169.45 28130111.14 Glyasperin H 3470141.185 4014744.819 3562013.246 6235617.743 7361094.713 6537364.407 3992881.863 2779359.437 6350913.489 8041540.322 5641460.123 4558769.193 4233568.323 3610234.439 2558877.705 8207907.389 6176134.349 4790146.809 Melampodin B 86006277.04 39727973.47 173178636.5 1780485.769 1531469.482 2049475.012 57261085.26 81121437.94 69297048.42 2565235.951 3944592.724 4692777.49 35612364.01 60342766.92 265119066.5 1912088.878 6771457.359 6301724.747 Microminutin 75033797.15 71449410.16 64461074.53 19597139.46 8838386.224 9905021.035 64403876.75 134793273.9 125927606.8 9682899.376 13788063.68 29050610.3 88208929.44 85274124.29 64819219.52 8877976.542 16857179.84 11926773.76 Ochratoxin beta 1150114.628 487061.7147 2151814.337 28726765.55 29919600.78 25489692.16 1704352.46 1942144.334 1079157.981 21401419.16 40362583.44 13030471.04 325500.0018 637095.7406 749214.0157 27771753.65 15720798.26 17307650.85 Oleandrose 2115884.434 1191920.612 2269805.016 1041314.116 722779.9814 1089827.167 2137256.73 1958390.546 2598599.334 855814.6726 1765525.791 2793501.54 1530961.291 1685083.246 1374196.153 985879.9935 816882.0129 947433.9497 Piscrocin E 6514344.811 6826559.631 10017960.25 14950327.2 10930773.89 12059331.67 6558360.115 7064152.67 6366846.492 11570532.46 19462900.82 18350510.38 6724724.43 6824947.997 5216186.436 14902758.04 19747975.83 9970224.006 4,7-Dimethoxy-1-vinyl-beta-carboline 11784113.53 12179601.18 9817452.505 1322859.501 1213795.778 2365444.885 12557627.79 12065716.26 12477833.56 596281.6967 756768.9831 268164.5472 9827180.306 9179747.458 9905978.976 303260.3471 329486.4308 288103.4275 3-Methoxyestra-1,3,5(10),16-tetraene 71016615.58 39701900.45 29710772.98 4360502.822 4257647.108 5153527.483 81610571.85 28795942.09 29831744.74 4574008.85 6657914.187 895374.8085 44282345.07 82681999.35 29583786.14 5040495.501 3070960.783 2980903.838 24-Methylenepollinastanone 109690926.1 27874861.26 26591175.05 24389183.9 69634888.05 59956614.39 93837786.1 29315866.74 33364043.77 39367908.42 84862702.32 53516087.88 113351516.7 29862854.13 30156190.01 31781393.38 79308005.2 76674853.17 Myrtucommulone G 26726980.44 42370477.3 23809428.38 17989873.79 15139503.75 16920562.79 31020857.86 30319819.72 39884432.7 12476609.81 23067119.24 19609968.48 50904649.42 34603057.96 18400566.79 22917041.27 20728820.86 22956526.7 Tenofovir 275514.8729 1311003.848 1313244.251 6394792.287 1198863.478 1794080.8 1182791.913 335335.3135 458373.7196 2044260.444 2739833.879 1344395.197 1894203.415 3064565.712 167913.2394 2299636.82 5569618.009 6374592.674 Coniochaeton A 2993113.373 3008752.503 4403377.085 50984255.26 50009398.16 25750786.09 3381887.862 1990852.475 2835000.464 35820890.21 51297735.91 39297147.83 1981347.506 2002285.188 4042563.017 36606976.9 50259770.17 33457521.11 (+)-Epilupinine-N-oxide 20202944 16096899.51 18697585.52 16339010.48 22349208.06 22893813.91 19352464.24 14073229.16 16752127.19 25894383.85 13306678.04 16614034.19 12279655.64 14027885.01 15780138.32 27194615.8 22444695.79 20239102.54 (Z)-But-2-ene-1,2,3-tricarboxylate 2125323.492 1927506 2620964.885 7601333.224 3345225.716 2039674.579 1769752.684 2643999.396 4006229.048 2285201.74 3223316.497 2312413.617 1735494.225 3808656.283 3261545.9 161629.007 242841.0967 1702488.623 2-Methoxyjuglone 2095665.902 2277353.745 2099644.652 1023940.128 3150938.412 1750770.956 1558941.685 2153725.449 2403320.097 2008847.797 2275681.742 2150617.562 2185130.098 2826668.658 1800830.652 2340321.923 2027576.445 2058775.704 17beta-Amino-5alpha-androstan-11beta-ol 13561456.78 15257930.15 11138963.22 13639486.36 20713826.65 21078069.54 16671730.18 12359929.22 16061192.62 23363705.14 12995572.41 19128298.94 17408588.29 12755732.62 11199886.07 20466828.9 14807994.21 16770265.56 Phe-arg 72996369.97 67189750.11 58866832.08 37308326.19 33929194.74 36062884.4 39677083.32 39307570.09 72049416.17 36600468.53 38721161.67 31714734.54 43448104.98 51633064.95 31754639.61 24264788.57 24113121.08 32171290.08 Ile Ile Ser 47835240.46 41236194.49 33619715.53 42847086.48 26462177.4 28016569.75 25188516.46 20929250.45 42318302 34275775.67 50501788.89 31343506.8 22951569.1 36436624 19579546.88 22614678.86 20054281.81 21304347.7 Gly Phe Ile 52668836.83 25915519.36 25894568.03 18138664.12 16402362.18 17559205 17291282.47 10345160.49 31096993.14 45480143.13 21766740.61 43680923.03 17951065.55 21616677.82 19867321.08 22699150.75 11184423.19 13399113.32 1-Hexadecyl Lysophosphatidic Acid 20955334.83 19157223.08 15813867.86 530232.5787 1189652.081 1996899.589 17136153.02 32152599.27 6796959.658 1718792.315 204449.1349 1698572.062 30631285.32 28501928.9 12413315.21 286275.1387 1166283.024 657604.2483 3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione 305911668.4 296020235.4 178292006.3 73098615.51 100332391.2 76617093.76 334784359.7 552864899.3 97743807.56 87903065.84 115772688.2 3689024.36 447511504.6 330781207 392161160.9 162590118.6 128605464.6 108107448.2 (1R)-2-Oxo-3,4-dehydroneomajucin 33218793.72 39347126.27 40308227.63 30339040.56 18459460.28 15580709.7 35572199.68 49975752.1 48152393.5 22813919.15 35752315.01 19201645.99 55493007.02 62267172.6 40199228.26 23440438.26 26406630.01 24366867.33 Depdecin 12889456.15 11108976.47 16323609.8 18951687.79 14112986.44 12898723.04 11019122.07 13205790.74 14047428.07 17153802.22 22848552.15 39146892.67 8682529.755 12077197.79 8868795.045 13130650.62 22279403.58 12358427.39 Ser Ser Ile 25071735.14 42362314.99 26094791.69 5908352.712 4481814.013 9759847.162 19363464.82 24478056.17 29982342.04 5362559.392 5843006.137 4246111.442 47947409.91 42013387.1 17369344.26 3716129.888 3025947.39 3947708.997 Tilmacoxib 560773.5298 726308.4017 750194.6531 208945.4015 616422.184 308965.0968 356103.9811 304697.2285 443559.7328 693950.315 958479.0445 262252.0658 338098.2985 439650.4144 386768.3179 950020.1307 481024.9161 651655.0862 His Ile Asn 32193518.56 34448339.67 37222837.3 21350542.05 30458832.23 38864665.13 37418992.62 38257222.45 40614566.91 22894947.29 26339647.19 25102912.13 37550161.18 32988642.8 39948905.27 33320485.44 18787069.03 19931842.49 Ardisiaquinone D 2005607.425 1355119.189 2241828.477 2522081.002 3446087.921 2394610.095 1958703.456 858769.558 5473980.403 2862044.148 3364746.37 2005164.957 1990766.506 3174935.488 1112072.65 2757990.529 2728556.192 3697302.487 Lepidissipyrone 6090364.813 4068232.547 7739967.491 1511158.367 1759138.815 2721651.585 8348550.138 9086884.098 8945349.89 1810223.943 1567421.835 1938472.086 11688775.52 9777112.43 7949402.281 1615772.262 1561325.31 1558645.11 Thr Leu Phe 27572579.49 13737661.35 14424186.06 26921109.19 16057760.65 20217264.89 12405817.09 4212890.95 29297388.59 21201210.25 21723901.35 23678809.16 7737102.673 17412476.58 10032988.96 16180454.52 12105457.36 13452973.98 Lys Pro His 171660941.4 106861526.1 142123229.8 575563831.9 440413781.7 426928877.6 165227583.6 201768109.5 31502628.88 430181116.7 518654877.7 10858051.48 136961529.9 129246656.8 183883811.5 721731751.5 1424733701 959393291.4 Hydratoperidinin 20643546.88 16720924.36 17605727.31 2522081.002 3446087.921 2394610.095 31612809.68 29959521.39 39236609.27 2862044.148 3364746.37 2005164.957 15811498.51 35299413.77 36206233.86 2757990.529 2728556.192 3697302.487 nor-Plakotenin 21855917.09 24118443.42 19763025.3 1358298.28 1213795.778 262743.5818 23148016.83 22300241.46 18870482.52 159832.903 1531075.626 1176319.217 22771991.95 25247719.46 22734718.78 180408.5862 935915.577 1223088.408 Mearsine 6503281.626 7270347.478 5622211.333 4593665.656 3657472.332 5510270.897 4263336.988 7296873.419 3824000.911 2932952.689 4289300.024 2835939.522 6108914.092 6776562.434 4689582.535 5128773.465 4200956.196 3510587.168 Tamarixetin 3-galactoside 15421117.5 32003789.09 17813712.34 2506660.695 3002200.362 1187761.012 36846958.36 10592373.92 13011323.97 159180.0151 3143936.5 1722328.555 4166901.162 13055922.68 6199000.447 2119985.81 4347401.067 6263664.612 Haploside A 7931866.434 7032040.249 7624307.468 10491869.43 1260302.243 1053623.054 4308668.629 5463832.733 7901169.111 2016370.918 2805171.52 2195098.743 6183324.785 8235736.749 9470683.481 669879.7449 5021092.155 3003290.791 Tecomine 856979.56 898834.7926 723986.0069 854808.1208 545501.6541 632200.4151 1155798.219 808290.5272 1018264.343 458616.4954 890145.9718 779330.9046 917054.0991 1625079.307 588816.2297 641345.9186 555722.3126 786225.8519 Pumiliotoxin 251D 64129700.37 79009610.82 55219237.46 67279774.12 83010168.49 95384821.17 76639813.73 54586506.17 72681969.02 100106324.7 69954481.48 74635152.35 65696576 63777714.37 60799770.66 101388466.6 75205788.99 60583572.84 Thr Asp Lys 1405378.777 1217703.443 1162520.087 1568032.938 830591.0151 630766.499 734269.9198 595989.1668 1866271.506 668095.0248 1446204.929 1066393.585 1211420.6 2212336.731 839885.3363 545080.6481 570366.2515 935820.659 Pro Gln His 46771692.07 37679107.27 62644676.4 219582909.1 239411203.7 284991805.8 42111522.8 58199270.72 33196624.65 246847345.8 162616530.1 105602443.1 42149639.81 44290876.08 70020382.63 250046644.4 357380092.6 288504749 hesperadin 9806609.511 7724803.257 11424047.69 23634919.31 10990109.71 36659240.52 5740992.599 7476809.519 7747891.23 29002622.43 38981344.07 7797518.153 10074995.12 16106570.21 8497788.686 17854625.17 38742032.99 17670765.86 (19R,23E)-5beta,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3beta-ol 54464694.41 118451730.7 74117298.73 6565829.447 8055937.468 4064773.796 65345126.41 64214142.42 37557563.81 3587039.876 6313016.92 3769207.15 86772045.23 60565908.49 72333796.71 6784262.054 4079246.586 5862497.55 Suberosol 60962.87044 1353722.085 1359631.066 928673.7078 2001560.045 1909131.778 1242564.968 1296724.908 1071948.56 4609858.73 2842110.223 6744248.236 1667500.155 1353085.158 860723.9855 3965787.008 3601856.543 3348984.92 Neocyclonervilasterol 20495091.87 30942748.11 22369627.17 1907684.935 3132930.091 2494461.705 25498764.59 22973139.25 24846498.35 2772132.582 2596609.944 2874123.744 31323223.67 26366868.58 18888959.68 3380022.487 1629832.613 3666535.877 10-hydroxy-2E-decenoic acid 34372024.19 27750403.34 30940243.07 27689909 26834182.36 27647551.98 30136808.26 29582810.63 29309251.85 20320872.52 23782252.06 16827516.96 19105796.47 26942672.53 25771792.71 28713930.51 47413692.34 27233891.79 Propyl cinnamate 4143237.509 4504462.277 3856986.261 4745280.923 4005636.382 4515807.539 3680266.365 4240985.101 4571309.452 4172449.082 4073187.788 3960271.007 1421648.344 4000445.993 3836010.982 4552382.916 4096048.633 3863409.075 Fomecin B 26726980.44 42370477.3 23809428.38 16422419.41 19233358.74 21163475.58 31020857.86 30319819.72 39884432.7 17500304.16 21329720.72 16955693.1 50904649.42 34603057.96 18400566.79 21072868.17 14605412.8 19050640.67 3,7-Dimethyl-1,6-octadiene-3,4-diol 10445174.5 5026418.072 8706359.799 43663618.03 43233877.22 52890742.34 13658696.61 6731831.739 7245435.205 38102333.76 25597142.59 27409336.05 3306498.924 3406969.863 10252284.9 36896539.54 48217868.34 45332256.84 Stypandrol 26726980.44 42370477.3 23809428.38 8821055.558 1078998.049 716011.0626 31020857.86 30319819.72 39884432.7 470445.8981 7121219.659 7147477.411 50904649.42 34603057.96 18400566.79 5987173.01 24565327.77 46114188.16 4-ISOPROPYLANILINE 5937925.29 6145818.197 5969308.304 5486206.349 5919494.9 6354451.133 6727264.881 7264603.431 6147821.797 4988134.982 8301797.122 4721851.733 8312717.598 8075822.1 6741013.743 7757960.358 6168089.812 5703401.201 1,2-Naphthoquinone 8283917.68 3723405.864 6414639.672 3674307.363 3067120.62 4702171.215 4879169.185 5839139.672 7151715.034 3436586.651 4868110.125 3368164.189 3436105.87 7631703.216 4904322.329 4536500.775 5428302.468 2879154.652 DL-Mevalonic acid 1871244.612 1312353.65 1679619.994 18206.48617 55774.76528 61994.98651 1219740.972 1756801.69 1353721.485 164213.6548 226566.7857 235992.7281 1892145.826 2021286.163 1311194.3 151282.8088 220301.8611 173100.7132 Pro Asp 8379229.3 7298889.516 9849194.65 9661595.128 11432759.03 10351569.41 8464501.703 10095312.91 10373300.22 10816193.92 31096408.86 11697885.88 9606496.728 9990714.538 8850515.14 11690356.42 7589015.308 12069031.65 Moracin P 14135873.9 9990836.341 20422789.59 216467498.1 116642346.4 88708684.34 17505866.73 7953564.33 29604296.93 148199971.9 227437335.7 81451817.33 5765250.318 7913396.234 13951044.43 102082909.9 205821296.9 184228772.3 2-Nitroanisole 15421991.97 11429262.96 12917391.61 3624437.545 2607114.175 2637845.257 14094104.64 12889711.75 18727234.04 2252015.47 3219571.875 1056093.116 14295317.01 21228368.07 11135887.1 2614233.75 2150032.51 1874264.61 H-GLU-VAL-OH 19083036.16 13955648.09 13769751.4 19538313.61 16887678.59 22503090.75 11770969.84 8737949.925 13822013.39 18219798.85 24777814.18 21804118.5 8212403.587 10531201.23 6927744.42 14318755.73 14560249.45 13668400.54 6-Hydroxymellein 230787.6804 342270.1295 72298.67014 1232231.644 279722.4198 398663.215 169288.4493 258090.2999 139153.7321 383767.9986 750290.3267 331098.9518 272840.8216 71807.02365 48183.95075 245675.4016 354827.3267 260210.0088 Markogenin 29393651.83 1135171.502 200121.4506 532294.3444 21429145.38 39005403.13 42282307.54 59833.31405 6902521.869 21938261.47 17294650.74 19337802.23 42475570.1 92672.75439 8663203.3 1021907.085 22814180.69 33984028.19 Lurasidone 218777834.8 281278845 296885880.7 1417370.037 1009011.655 1942094.571 210971364.9 293411873.7 200981281.1 6816921.083 2667739.428 1899146.97 427954803.2 324192480 235721530.4 1607469.792 3502483.872 2780566.629 C16 Sphinganine 56848369.15 55281731.93 72946220.32 133135438.1 86879924.48 83404873.65 70962766.14 35412939.16 70065711.5 81351551.41 89309632.4 138775523.4 38620065.06 59329204.47 46264779.45 133773623.3 140504442.4 151400173.2 beta-Citraurin 216048896.4 265140119.3 261430358.5 7357178.289 8248508.187 8675007.589 265252700 213239715.1 254159916.4 9616880.919 12751057.79 590751.3071 364477678.9 253337902 274578054.3 12564545.98 10483989.2 9617373.834 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one 11626902.6 10888136.68 12581263.64 11396334.82 9605123.06 13531304.66 15057627.68 15941070.59 15855776.53 6686743.223 13561458.65 13268268.94 13944009.25 18894733.29 10631301.62 13339706.8 9693417.769 12136799.22 4-Hydroxyxanthone 6279526.274 11749083.74 6277174.737 24765191.53 22157261.41 14883794.02 10648530.63 8498986.317 11705321.01 27958866.64 22066265.42 17613334.13 2941411.972 9423084.63 11888766.27 16684640.69 34560200.02 21019726.14 Benzylformate 32296209.49 33158879.1 32640196.97 35762126.19 32730822.28 38776403.6 29991779.27 30099860.94 38703592.83 30038483.5 30360558.54 28106636.35 28669895.65 31052626.87 28987150.14 34370245.87 31258724.89 27549265.09 (3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol 883467.4194 833113.431 702843.6805 692050.6038 633895.5876 536039.0092 427717.8962 476731.3896 588319.5952 1081545.15 493982.7188 418040.2144 219856.0154 735141.9462 368429.6234 530204.468 127213.0787 560888.6548 Topsentisterol D1 6883640.965 2997050.325 3440420.762 34899094.69 19950822.97 49536726.04 6005388.371 3748805.406 3401344.004 24368918.68 34397395.48 49105338.19 3170738.416 4792811.603 3049625.771 34946411.27 32357716.26 21514490.18 Ser Asp Arg 99019815.28 109726024.2 111953353 7675104.887 5580674.898 7161856.335 65939575.21 143371717.4 105144407.8 11044952.95 16030442.22 8708294.717 136930513.6 145456251.3 120134682.9 4246905.882 6317109.496 5896836.379 1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one 26726980.44 42370477.3 23809428.38 16061224.69 17397485.87 19262145.56 31020857.86 30319819.72 39884432.7 15754395.64 19454974.88 15541056.7 50904649.42 34603057.96 18400566.79 23021068.49 13049182.76 18165360.4 Polyneuridine-N-oxide 2145253.557 1208228.55 800788.5462 2622144.615 495819.3531 870339.4345 1304504.72 2028487.849 1321499.473 1072447.315 363095.7794 806611.2617 2116734.191 1166167.267 1651427.602 968056.7647 314545.8714 1013629.188 Asn Ile Leu 44099307.13 29729935.93 34775964.06 38861063.76 41027544.08 29963988.27 24354083.22 15366052.6 43665574.77 42836401.38 48829000.35 34181441.77 22046466.43 30754805.42 18565179.45 26865875.05 23678977.44 24899887.88 zinolol 6570143.806 5126312.907 6335811.562 484462.882 307108.8567 435439.7412 7101334.443 7046740.998 7561761.905 387378.1191 662246.9963 598677.0469 7691985.571 8410251.137 6438664.199 727238.71 624717.071 429660.5728 3-hydroxy-O,5-dimethyl-L-tyrosine 82161826.67 63185521.35 62382915.24 7193996.335 6776030.398 7523172.915 59411397.91 120964861.3 84225184.25 7423575.451 13485980.44 6851877.841 86780287.49 67388060.3 61433027.83 9009639.272 6956833.005 5360860.17 Isoscoparin 2''-O-ferulate 44620013.89 16431464.51 27816008.77 4365364.375 5764865.352 5921678.338 46647167.36 30477722.77 70002642.62 5292501.538 6198462.342 3947972.106 35742447.01 82175449.46 25652080.84 8048120.346 4450016.161 6484173.206 7-Ketocholesterol 807718.9829 802453.3515 168462.0886 1449706.611 2299634.757 1866279.592 526229.3747 479294.6632 92271.60263 2587673.34 371693.9964 5780410.757 1307615.479 1170473.608 599932.9645 3518227.376 11611665.04 6578757.988 Droserone 2344725.88 2644913.442 2438207.846 3193371.401 3075469.826 1607634.882 2685830.496 1308502.149 3217466.133 2623139.357 2716928.92 2588162.261 2473579.25 2732712.64 2298446.611 2852118.064 2559448.767 2423406.273 BETAMIPRON 12255827.42 16084312.54 11690644.49 42730883.74 39531356.81 30169711.05 31372408.88 25150202.93 23521247.81 37179694.26 97269418.63 41720861.7 26926929.8 23640417.19 21908294.89 45791470.14 45672711.72 37463122.25 Discadenine 17201444.88 13958790.78 14128997.05 43292338.09 37792723.8 47022134.71 16936418.73 13820596.55 12714130.17 41204421.18 28955417.15 32974175.08 15552429.89 15357710.3 11666688.56 43320369.11 39380957 54373685.75 Lamtidine 5109864.842 3232071.194 1964605.369 15126274.41 17869478.78 19772963.47 4471441.652 3280502.547 1834203.818 18747948.17 5205031.408 23543265.9 2854878.288 5621270.104 4866890.222 12400045.38 21061324.7 22472925.37 Lineolon 15499900.04 7071774.958 10021918.25 12945866.75 14328792.81 11938975.76 9678045.022 9467405.69 4376956.6 11422438.92 21418730.95 11648526.73 10382575.99 14152455.8 7721483.39 8020682.449 12335332.56 14716436.64 Deisobutyryl bakkenolide H 120318.7064 35995.98969 70098.18614 303098.1823 321763.9857 1293184.941 1563637.108 134093.4954 51887.66325 82025.94095 186856.896 233666.232 418416.8144 81491.99412 167460.5666 221778.5272 221566.782 239972.1167 Dichotomine B 15753038.16 9883496.807 16005573.67 44417223.3 36566181.64 73441829.6 11386795.07 23951504.1 26059590.14 42123515.07 75504166.9 53371632.66 25877418.62 13651950.69 10579263.49 92792795.09 47552366.89 42969673.9 Pseudopyronine A 10350439.27 4207120.209 6853005.466 28613929.57 24739789.98 19508852.04 8560997.157 10189997.29 3028284.253 20908700.69 19766552.72 22322829.91 4446653.566 5129719.683 8649802.68 24164501 28523777.07 31189937.42 Debromosceptrin 21376884.8 26716982.71 17170757.66 601296.7611 1207359.952 1365008.284 23527465.43 20169160.33 25898910.56 855238.5055 577701.0076 1949342.467 28186283.76 25872068.56 14382255.39 545935.7055 435356.5786 1563712.519 Flurogestone acetate 429747.6075 540139.1803 205432.1438 3170365.346 2650278.329 5783850.345 207271.4366 280408.8877 753252.2712 3676144.082 2409449.956 4186324.917 1233178.03 641203.4814 308653.5465 3477160.099 1463277.398 2772604.869 Methyl (9Z)-6'-oxo-6,5'-diapocaroten-6-oate 2317756.364 4913297.737 6748102.541 2522081.002 3446087.921 2394610.095 4269714.231 5679532.716 3116961.105 2862044.148 3364746.37 2005164.957 8787925.368 2708364.461 6031555.233 2757990.529 2728556.192 3697302.487 D-Dopa 16900660.31 18564963.14 24998561.97 4206836.001 3898899.466 3564641.624 18495179.7 25019832.14 54059669.32 3043548.834 5113317.313 3522005.694 16311222.19 19956191.21 14840650.46 5352804.153 4439824.851 3854684.959 Lys Val His 58752582.2 36338625.63 65151302.23 257561711.4 251658015.2 283692009.4 74846774.68 54393103.09 43448809.42 243994133.8 145567998.8 405776342.5 47070118.44 51626258.37 49525970.45 300698449.3 372076783.2 349791294.1 Reptoside 26726980.44 42370477.3 23809428.38 14155804.86 12363837.01 23696419.15 31020857.86 30319819.72 39884432.7 14126401.19 23615929.15 8011945.898 50904649.42 34603057.96 18400566.79 20790664.47 16602295.01 18108069.29 seco-plakortolide K 1555694 882461.0279 333419.7769 149149774 95577178.7 160337066.1 428779.4997 485668.5737 608243.57 154322424.6 132369127.9 135363156.8 1006309.03 1167818.386 560423.919 151537697.8 234966215.5 148550435.6 Val Leu Gln 24804875.19 21448403.92 17896984.67 25105142.01 13935823.06 15868766.19 11964433.83 9404913.274 19336848.86 21762363.95 17132206.88 14171648.23 10782842.86 16242081.8 8424822.408 11606802.38 9602500.551 12396008.37 Leu-Gln-Pro 20588202.95 23881412.38 18574884.78 54512314.96 38805787.37 41870317.42 15677651.24 10217916.49 20096193.11 40431234.93 65924730.12 43640786.84 16816375.28 16918002.8 9579887.909 41459308.66 44703529.37 33208155.94 Lys Ile Ser 10351834.44 8602155.16 8237429.726 7010453.858 4077723.63 2748984.269 3297390.014 2038501.95 9313909.368 4014924.753 5186263.702 5061629.983 5536576.537 7524300.369 4424302.198 3629030.893 2760461.935 3494726.666 Secoisoodorinol 834298.4062 105026.1459 314235.2969 10689943.96 13510809.17 8579036.566 3530580.07 1367496.947 84348.09075 10541097.73 3758864.021 12612575.32 1499863.207 1300999.088 915416.8816 18066759.58 27419409.05 15776577.13 Litsenolide C1 67647217.02 94577795.37 77433290.84 13743801.81 16849613.45 16484367.96 76669621.77 89114049.18 60234080.71 15814537.68 13225737.6 17832453.73 109331061.9 93235077.99 81988248.32 26019694.84 19316967.39 8667355.37 Thr Gly Ile 38922241.34 59238783.83 32242623.06 56904914.84 26701981.83 28807052.27 23881736.4 17317906.58 58745704.46 48180314.23 66806804.47 50336473.43 22125769.84 45210239.1 16184932.77 31888672.66 27401982.59 20070912.15 H-Glu-Lys-OH 13705912.09 13926269.98 12431765.39 10242866.43 6682329.109 7739612.665 7103981.169 7783237.266 12089096.58 8632902.769 10083520.38 6415645.536 10142926.88 9708788.037 5882700.263 7619030.49 4648891.348 5906668.711 Guanadrel 9714573.796 9312543.764 10758854.86 88882978.37 40892833.61 60457251.34 11296907.62 36233560.01 6951803.375 76450394.83 71394229.67 73001572.98 8726378.069 12431994.82 26232306.28 201690274.3 260370541.8 162356189 Bisucaberin 6355251.319 4475295.808 5206052.154 7630230.134 2231720.775 3843258.559 1304045.437 1871526.858 3588439.395 3666685.747 8181151.098 7984085.053 1404117.609 3031660.095 1533974.415 3191443.875 2823210.711 4519669.417 Speciosin D 21647793.71 33731483.69 35630228.73 31194274.25 20370991.05 13545412.68 42559985.98 31978462.71 26140752.04 17157402.37 31902397.73 14751751.16 31410638.49 28962408.95 40037680.54 21045099.93 26468176.82 20971880.54 Bryonioside G 22878239.34 17074152.2 21670352.23 65449003.25 86404414.71 87763116.19 26198853.91 18794243.13 7845274.286 88693994.42 86406917.84 95439301.41 16606874.8 25502422.23 13490131.07 91070458.05 68728992.99 70994918.4 Pictoside A 6671343.654 2835126.172 7506669.895 40132174.09 45290226.23 59941798.93 5838660.785 4420678.684 1029822.009 40291173.14 48808314.23 76517969.07 4858794.753 5288030.971 5656172.159 48985884.56 31084557.2 41633039.91 Rubuside E 2833690.267 3974622.703 4650451.775 22563516.72 41053050.06 34957242.62 1006861.852 4508140.536 2681799.084 37572067.53 38035849.7 37528769.17 4636837.128 5227293.557 4100550.381 46196484.98 29081892.59 38304433.33 Barringtogenol C 140886.3172 172762.8846 374644.6633 15367903.18 12747788.32 20381394.26 117407.8468 144709.6652 1152178.279 23003193.46 29580392.28 31923537.96 1733456.148 108130.1958 1022943.579 16740463.89 21571740.17 14643783.87 Rhabdastrellin E 28073037.95 46834356.11 32128347.33 916044.3961 1373663.938 1595398.653 41592657.81 63090586.62 70722339.28 404111.0009 130481.2884 318196.9196 29109002.48 76620436.36 36000442.19 1280138.184 968143.7616 183727.425 (S)-ATPA 29350373.79 26565988.59 25977130 27655894.71 25912286.35 31943323.05 19092615.19 16524935.99 22727437.08 28906731.68 37245317.11 22890829.66 16957900.88 25263932.99 12896331.46 21922610.91 16460737.94 19099404.9 18-Isovaleryloxygrindelic acid 33139375.68 15499197.8 26690304.07 22584486.39 35607896.81 41980180.39 28327483.37 21000649.91 32287512.9 35086687.8 57333351.94 29783853.25 9416814.526 20047735.29 25161269.94 26871598.62 13922892.02 29029296.15 Rumphellolide B 6874498.8 4203888.684 6976009.787 36390939.09 32349721.13 25798771.64 6727898.211 7692335.555 3392940.353 26037159.67 23571463.66 25186896.88 4653671.241 5250647.474 5641876.444 25171415.16 36763973.21 38655931.83 Butylidenephthalide 20028520.02 16640145.47 16240294.99 13390931.92 17152162.19 13261938.74 18880497.99 17111596.78 19251966.28 19888126.75 19799849.13 13851016.04 20113806.42 20591142.05 15959383.45 23464498.47 22495470.13 19000619.06 Dihydropalutropone 6671807.005 8522859.774 9233821.821 16317383.84 15584028.09 18085832.22 9141378.661 11836720.38 6266734.403 16449835.28 19881072.06 3448138.365 8694986.432 9519860.936 10330826.17 17263094.87 23674772.58 16869907.46 1-ethyl-3-[(2S)-2-methylbutyl]piperidine 5480492.553 7514304.929 4683230.761 8019823.471 7364755.585 11531047.39 4996278.941 5518329.22 6752337.827 10304048.36 9474074.902 5090918.684 6590708.027 5736567.614 6926010.8 5954072.323 6552342.893 4853691.561 Phe Ala Leu 24990404.89 15558039.88 14341105.94 28368564.99 21411123.94 16775882.23 19123253.07 6420603.346 22787424.63 22285132.45 18451568.06 25569502.43 13071199.28 16544860.01 14476942.7 18169434.89 15522059.42 12527998.8 H-Ile-Tyr-OH 85619193.46 78989591.5 62532305.31 94295699.44 81474591.37 88480602.52 61291495.45 41530755.73 74098223.06 86880027.21 111707564.2 72976524.21 51110794.84 66087748.66 39567630.98 62725294.01 53998832.67 61403537.67 17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol 35836974.26 50376575.28 36113736.17 1958760.265 1197650.492 1023328.275 37735655.77 38506909.58 37843642.55 2170771.946 1417552.2 742474.8645 47978681.95 40628833.28 29401941.58 936401.2953 1599238.201 374829.3025 21-O-Methyltoosendanpentol 5874266.717 1805985.791 2996330.53 38718359.75 47626933.52 35528639.95 7760731.061 3135174.615 1985976.487 34205939.61 44444271.16 31389289.03 2688571.471 2728883.024 3973261.978 23753666.44 31714321.06 36268431.04 N-alpha-Acetyl-L-ornithine 618277.4723 869960.9315 2648431.583 9620859.432 12880837.28 10629308.39 1273971.667 1107046.772 357092.345 11779237.06 3089198.826 5463340.951 566318.5319 1372491.666 1800797.496 8020192.545 6735469.376 15079146.83 Mersicarpine 6768471.327 15863322.42 12577482.46 2319179.785 2052444.281 1370334.099 6139064.061 19618154.26 8439712.761 59821.00855 2448565.994 1703459.042 16770503.53 8190207.752 8444083.145 1763090.71 3536296.492 5961560.347 Herbimycin B 15197340.42 17224323.23 6494467.571 257902.4246 1213795.778 1522666.305 12601037.05 14441124.62 14317977.68 367271.0957 361037.2271 171812.8698 36147655.78 13219198.57 7419178.337 604582.0941 359576.4101 558332.1002 4,2',4',alpha-Tetrahydroxydihydrochalcone 13558858.3 7676479.7 15038975.67 38481870.51 17065803.27 16033788.71 8853010.015 23910938.14 11853383.77 15297825.49 29479572.73 45976749.8 7745246.622 10514258.37 22207882.83 19263396.15 22930038.41 29251160.48 Kahakamide A 39027098.05 23733114.96 29101339.96 1427122.538 86096.71115 1474610.359 51656720.21 57115525.89 38836202.28 96608.24945 1593830.291 91141.0798 30139898.66 43064747.63 31742674.76 180992.9625 113840.4936 58852.05484 Tepanone 7892273.82 5841817.229 6524629.609 1677918.001 4872027.317 3094830.466 1680298.385 2489283.132 487187.5053 330978.7195 4663460.017 2853415.34 976591.0286 186678.7413 20095285.85 2411435.48 6330523.45 5594988.478 Garcinielliptone FA 10373475.7 6561223.981 8133168.711 2396274.277 1685145.763 2370931.04 11235079.31 10726197.83 11155471.51 842885.4617 1079641.9 2186615.874 4338921.99 13125171.2 7698906.286 1644585.27 1158972.713 970630.6087 Foveolin A 21119499.24 15428762.62 30918830.74 41518814.8 54058112.72 45246950.79 14883258.45 20651363.42 16093717.12 48411368.88 46374431 34684410.51 12817482.8 25620830.95 22808490.46 44915952.32 33773365.16 44735142.32 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione 161685103.8 160251415.6 129567458.4 71828127.41 128165657.7 64802496.11 134896692.8 277776545.1 105226755 118118987 161422415.4 18342216.92 309805447.3 209812533.5 170167349.2 156931718.1 149287237.2 138008375.3 7-Methylxanthine 1834752.781 2062604.218 1810279.608 139862.085 1495217.77 1989363.381 1492668.352 1661169.174 2210250.217 857773.8985 937949.1494 859783.926 1813373.149 1796827.296 1356180.789 962741.4041 963805.529 951708.3975 2-Naphthalenesulfonic acid 1036576.3 580480.0656 1065507.654 1671181.862 1316560.425 1098787.408 590228.7952 620076.2929 574829.6036 989334.1801 3481259.652 881318.7359 416899.7097 309340.9687 713565.2446 1399811.664 1413094.532 2097153.229 (4S)-4-Hydroxy-L-isoleucine 4474196.094 4739374.417 5970241.284 4355438.169 5076173.873 3830762.486 5214607.396 5761656.277 5169449.987 3759812.588 11643132.2 4411095.336 4938847.155 5843809.601 5464592.633 5729537.295 5723494.8 5219287.249 Kaempferol 3-(2''-feruloylglucosyl)-(1->2)-(6''-malonylglucoside) 87612908.31 106531648 75703425.82 134353.7242 128796.2149 1522666.305 96843650.34 57250730.5 84776358.17 1322483.557 1531075.626 1176319.217 46787831.27 59687884.01 61199583.76 153867.0157 1050991.547 1223088.408 Lys Val Leu 63759290.28 48484008.37 40865880.67 44701313.54 32330356.48 32498283.58 33993894.44 21549586.62 59746824.92 37395772.26 56576115.23 36652254.88 28081363.97 40046390.08 22604316.93 27174067.58 21998970.3 24840635.39 Cerasidin 5560890.486 2398234.747 9282005.853 102120310.7 55811466.06 42937250.39 4408663.741 2321710.022 12839308.08 74126569.18 80961683.12 36897758.37 2762373.902 3448839.442 5508210.961 50709177.58 100837610.6 73903360.17 H-Ser-Tyr-OH 11537267.69 9634399.672 20319739.37 7908187.552 6769127.926 7692469.288 7439174.264 11833036.42 18097091.81 7915101.979 11191769.87 5490895.4 6763023.82 7236097.036 9785626.501 6104783.214 4210836.968 6270659.208 Quercinic acid C 1116836.921 10279701.53 18952699.53 19389004.67 1170595.879 663527.2891 1067863.224 12729011.58 23434600.24 14116029.73 349024.7033 520575.5662 833670.0829 30145321.9 22518270.03 13589562.06 1820137.431 2267070.958 (+-)-Perrillic acid 31446468.94 27484818.12 32267832.61 15431000.28 14920569.02 17967376.91 23408889.81 41429913.09 28333002.15 14418990.04 16610118.83 13252142.15 32863701.43 34043790.56 24576546.26 17460894.64 17945151.54 17290634.5 3'-O-Methyldiplacone 462359.5997 1081480.214 564100.6197 6812513.357 3443915.951 2993167.048 1253427.976 911786.0253 1144717.111 3729093.002 7114179.45 160278818.5 1724808.714 761054.4322 2068138.298 3777580.586 21725791.42 21817178.08 8'-Epicleomiscosin A 21687224.86 33079246.25 23344295.13 9191756.103 11170066.71 7070220.34 27473901.77 24138322.61 26312889.27 7321152.644 12788475.32 6996519.359 33788772.58 28162016.07 19870970.2 9980774.349 11677648.9 8577993.247 cis-(Homo)3-aconitate 26726980.44 42370477.3 23809428.38 264202175.5 280541876.7 358533575.6 31020857.86 30319819.72 39884432.7 268636896.5 268351923.6 268899154.1 50904649.42 34603057.96 18400566.79 296574841.8 209141458.4 277872594.8 Nigellidine 3099031.564 1252498.163 2735073.584 9874446.724 8055189.666 9379490.877 3577914.515 6019873.684 1116819.757 9824719.535 9752159.736 9579459.216 1230851.294 1404495.342 1603632.946 5160614.17 6387067.306 6288180.863 Ala-Leu-Leu-Ser 25836077.7 19970052.94 27449224.2 22279071.17 30214709.33 27858606.2 10581601.14 8061728.922 19860556.32 27688504.59 26859135.53 22737169.6 8350781.691 18664752.07 11071255.8 18120939.64 20986450.4 33793434.11 Benzo[c]phenanthren-2-ol 3829741.722 1554067.59 3992472.964 2102926.624 1134625.562 1711322.336 2834926.622 5801125.747 4555471.663 1435229.587 1531871.135 1458167.291 10453268.29 10129981.64 3161156.805 1950913.377 1687785.381 1611975.548 Avermectin A1b monosaccharide 248428198.5 307222468.8 353260064 35312358.03 43294867.32 40485962.79 457911444 354093644.6 236556678 39742014.58 61900147.74 39036745.87 381662323.1 413674352.6 438963143.7 47672993.09 31034249.07 49016497.32 Lys Glu His 43608882.8 47383084.35 45080762.72 70072219.75 61235271.13 54220536.67 33252024.4 38030966.3 32325062.71 50061653.08 47042697.8 14361954.73 42703304.18 45626267.63 40526478.28 70692860.45 58001352.48 55814568.38 Ilekudinoside J 140565808.6 55279487.79 101308975.4 48508026.58 62577369.42 53421295.14 94713781.92 88095960.47 52685872.22 112184304 133376887.6 137346160.8 73830589.78 79148199.68 64220341.28 109059188.6 95343499.61 59246248.05 H-PRO-ALA-OH 34529668.62 33449102.6 36748954.99 72706362.52 59470140.88 75545008.05 33581043.41 59514639.54 34365233.08 39073212.02 50452901.39 50376305.3 69220876.75 41826368.72 52945692.17 75384030.07 61427329.28 59834238.21 cis-Acetylacrylate 5835080.74 5058464.582 4340783.977 75921755.31 66835207.9 102495717.1 2833299.711 4858695.227 6417067.369 81569642.56 77090644.43 63242476.18 2981267.338 3778212.016 3555561.101 86530255.58 69507317.67 89297538.48 Pelletierine 46368276.9 55355204.59 45597916.11 50755996.22 49678162.05 60622128.03 50026830.32 45778543.07 49414836 52309343.43 53774006.83 43084750.87 50769186.85 39951597.22 43511329.83 50046765.06 53800414.71 46668789.11 N-Nitrosoproline 190406897.2 232590353.6 262256133.7 88905439.62 84799835.36 93843779.83 273588461.4 212057820.6 170821300.5 75920605.45 55762033.37 95742679.44 240281505.1 235796005.6 268251590.9 94090764.53 46254422.1 125874776 4-Methyl-3-oxoadipate-enol-lactone 749188.546 853509.9922 653448.9792 34295685.75 37901990.83 41085612.07 1430504.774 226034.582 852004.2878 30882935.85 36871678.19 31100821.91 251841.0963 363780.9652 572290.4146 42247902.63 23728717.25 35886898.22 4-n-Pentylphenol 32006956.26 46750089.02 31176226.74 33298732.76 33489715.71 40380329.92 36754191.18 36461147.58 34342207.62 36898468.97 28812497.75 32462838.87 32205293.28 33878413.16 30167086.05 28520188.98 32082427.5 49215607.11 3-Methylguanine 51258079.77 43748394.58 69943310.48 12981155.47 6433384.702 6860015.503 47968166.8 65053206.22 35919562.35 12390857.46 17419505.59 11049309.93 62535883.93 38094018.89 31029968.2 6120235.726 8654636.383 10494560.8 Nalpha-Methylhistidine 132989.1397 285959.8064 266649.0793 2087586.861 2890694.734 2094520.743 69145.94042 398124.7082 495318.7936 2326953.653 3142717.061 2146736.763 184075.4377 109042.9026 476727.1894 1422562.881 2111757.453 3462125.982 Capillanol 5302346.032 5174181.495 6124948.488 12813255.54 15133643.82 15950146.43 5399580.753 6850653.044 5395313.375 13236373.31 34473127.67 5202487.844 7750279.115 6598653.77 6337044.963 15464593.35 12316814.85 15365310.48 D-Alanyl-D-serine 151172176.3 145954004.3 451361354 10752184888 15868452679 12311325982 412437056.5 98461508.47 109311902.8 14989107099 14380762958 9447394358 39405550.18 586551950.4 118304567.9 14421991640 11260113656 15287184444 Tecostanine 74243391.47 84632540 65437942.16 70013769.74 94543554.51 92628140.6 83564646.13 62529438.69 78886223.74 98744581.57 75554417.44 81342606.62 78578686 69789194.61 64388200.37 87809299.16 68556341.64 69274561.91 N-Carbamyl-L-glutamate 306740832.8 591439092.1 403436292.1 20525870.48 18377058.31 16590354.18 367428535.6 319081617.1 405630499.1 23832152.65 17102524.86 22864665.02 540811890.4 368470745.7 337356304.4 19396030.1 14433085.38 25018085.42 Guanethidine 1162266.667 532632.0665 861225.7898 199424354.7 294414963.4 231511076.7 3106717.714 702159.4814 266811.113 149684552.6 195525811.3 206450917.9 1847052.432 967403.4544 1300209.233 329594641.4 809625094.1 625545911.9 Dodecanamide 191478340.8 219242384.3 160258922.9 184699270.8 229976126.2 240917639.3 270600583.8 164291475.3 221441538.5 207950204.1 174092251.9 170622553.8 189631290.9 190632219.5 155238619.3 218588439.7 167242694.8 183864513.7 Pellitorine 47759218.9 55032047.67 42111726.76 44262946.15 59498242.43 65744546.99 56074135.81 40792441.45 52690036.66 66936312.47 51075775.84 53868361.18 48684070.27 47355687.6 42998387.24 57355813.74 44027371.56 44778067.8 Acyclovir 17726991.34 27589511.8 40319534.91 968318.1934 972031.0058 885165.8353 38034935.15 19801072.53 17438956.31 931418.7874 744795.0104 4492244.578 43519197.04 44160110.02 35362227.52 1661542.239 697342.3422 773367.5363 4-Heptyloxybenzoic acid 15028406.45 9407502.205 13666224.42 38248975.92 40851657.47 32220632.85 6541633.754 12812654.22 6901439.589 56235107.14 25643754.8 17127257.29 11052122.98 14337986.3 17792984.83 20367508.64 41406677.05 36074613.88 D-Octopine 5178571.938 4285574.177 7484254.128 7071281.014 8556509.415 7365000.915 6083473.911 5088519.404 4415274.962 7087771.447 27598988.08 7432817.99 4113065.045 9006751.351 5789865.146 5545678.045 7548362.472 14443747.31 3-Hydroxyhexobarbital 63469190.95 67222504.81 58870854.08 57109215.38 49338888.22 62665931.73 40825473.56 43180801.12 54388392.4 61352305.43 74269396.31 46855689.37 42685011.75 47126016.95 33236434.79 44962871.59 35624573.77 39761887.4 Kanosamine 6-phosphate 64881562.84 72153077.62 85273093.72 4442573.325 3747240.105 7778445.048 58671022.87 53724921.34 50817059.18 5669794.41 13231444.16 6718459.773 49419072.13 56477157.34 50134313.63 8069881.736 7558737.558 6834903.256 Phe Thr 86033857.43 69714890.83 73151579.6 58213288.73 48457178.53 49673803.14 57989290.07 50447914.11 79264803.37 56117432.47 86683800.68 49204976.09 46695252.96 53859931.87 44534065.11 41562681.47 35072512.46 40254674.72 H-TRP-ALA-OH 29673014.84 25339513.88 23642434.18 32341220.86 28015118.53 26983101.05 16745231.06 14078757.92 21946348.41 32420671.18 38451706.54 26075931.93 11318374.19 16709358.22 12291249.77 23044814.1 18516679.47 22424807.15 Plumericin 38249906.11 37221056.27 33462286.15 78862660.69 40795737.42 35529631.65 31713384.81 23164978.39 21517075.96 44629144.25 81308333.98 41780831.02 18203482.27 46817183.32 29384748.09 47758331.24 58898912.24 51489513.39 Val Leu Ala 122587917.5 105721573.1 94859709.9 211557716 72714836.69 51372651.38 76224988.7 56023463.36 104943812.3 76812251.56 178303196.1 73424525.45 76966200.64 97279431.87 57567884.7 89054270.74 68364651.73 80567882.42 His Phe 16312547.24 9596600.332 9320306.385 17830012.36 17700301.12 21554193.76 13303176.9 4488828.259 12482845.26 20511989.66 20783548.27 14071118.35 7422342.279 10373616.14 5554601.86 14996106.57 11133752.73 15855469.09 H-TRP-ASP-OH 2642673.043 3859660.973 2656175.841 5243411.762 6709082.507 6191959.17 1664648.255 1605332.148 1671966.938 7275855.975 8581543.6 7719620.927 1243100.309 1642197.82 1417048.524 4045400.155 3585470.642 4901727.967 Tyr Phe 52974715.95 47783366.6 40389006.46 43485227.79 32290762.55 34053793.78 23766896.34 24315923.18 45388721.49 30395094.27 58814732.7 26851488.07 21151379.49 37218313.57 22962082.25 19825572.44 17751812.69 19898648.67 Val Val Leu 36907883.66 28319611.57 27617154.09 22571115.42 20948018.27 22680122.94 16860990.25 13214952.26 38590379.01 27031683.33 31710129.85 22773411.89 22837123.19 34895626.4 11892162.83 17124888.37 14935853.88 15775020.4 Thr Val Leu 67164097.15 35421261.43 37449720.35 45082625.41 44227354.96 44289446.1 30597292 22779467.49 62878459.67 58760019.76 72287503.9 46114412.17 23831505.76 48662200.9 27854068.58 42613046.52 33703282.29 32729410.51 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one 66972821.66 82848483.18 118514994.4 73270585.18 59388985.77 22274130.13 59460600.95 97237920.68 123251872.2 64412009.99 44598420.24 18693574.52 94988540.19 120030857.2 121787417.6 55696863.85 18829124.74 17415095.67 Val Ile Glu 46298326.09 33927244.84 33682016.09 36136125.5 26929531.38 30215803.02 30049108.23 17230197.63 39808509.8 35397628.44 47255351.6 32968852.38 20108798.51 25064731.94 16503184.39 23656554.12 17264299.89 19789983.79 Urocortisol 16850360.41 11693772.4 18133593.09 34249287.12 26052034.1 40233819.07 15578318.45 18091245.45 14554292.16 38416950.91 31349345.84 36308321.38 9396964.55 21758971.15 12800513.1 31086062.06 26763451.65 24309930.26 Lys Ile Ile 93576662.67 88084362.76 70200871.23 72465092.09 34482118.47 30533699.39 36626846.69 33305396.52 94171891.24 35482043.71 86343303.3 36014465.6 35578770 68342189.86 37411308.81 28442281.77 26752039.03 28384222.04 Nervosanin A 15734477.53 6620111.492 15687277.65 136690064.7 145815509.3 175333566.2 17127786.53 16943356.84 4944421.899 136808836.7 226151602.6 97137313.64 15438467.88 23015658.45 14766628.17 163715093.4 145819245.7 118487184.2 Sarcostin 44728686.06 33636745.43 39119472.4 22563471.17 35792228.43 18978947.6 49501190.97 59918210.25 36635318.57 29575009.22 36034617.15 9375101.316 36875470.02 39409242.56 41678869.93 32464006.26 36319895.07 33312390.53 Thioridazine 5-sulfoxide 12651983.12 12660490.74 7000134.908 2522081.002 3446087.921 2394610.095 22509527.85 23286442.57 23921251.52 2862044.148 3364746.37 2005164.957 46079483.95 23063053.87 46736205.65 2757990.529 2728556.192 3697302.487 pre-putrebactin 21504011.69 14811203.79 16135045.86 15281930.21 17490487.07 16719059.94 15695080.19 9665225.367 17049114.19 18801269.63 21791882.04 17856825.17 8109730.118 13197084.56 13747517.91 10604375.64 9305795.042 11994887.78 4,4'-Diapolycopene 8753624.194 41503415.91 9848521.927 2522081.002 3446087.921 2394610.095 25867137.25 17438557.96 15839976.51 2862044.148 3364746.37 2005164.957 45943391.88 12606546.6 17072230.95 2757990.529 2728556.192 3697302.487 4,4'-Diaponeurosporene 237393896.8 198454168.9 233808194.6 12488190.89 13317062.55 12407539.03 243469319.8 208061089.2 105037646.1 16563460.93 21219366.85 1792257.651 251393024.2 160457899.7 291635178.8 17799971.11 11236593.06 18312350.68 alcaligin 8376223.535 6524272.733 8248993.792 13740255.28 8341725.923 7662675.917 9727129.967 4000805.658 8019582.965 9128825.224 13151106.69 8912088.141 4969730.614 7140838.662 4883697.916 11509854.13 6324505.438 6867229.424 Demethylphylloquinol 401512827 989190164.5 1105675009 450912465.5 531646268 600959233.2 345164870.2 960071795.2 651057205.3 481334779.7 570237681.1 300118293.5 656621691.6 304973653.3 275045524.9 576544985.8 391652655.6 546207820.6 Flavaprin 242567062 178939354.2 163981323.2 21143605.66 22428712.7 16291697.54 148356939.4 134738748.7 79972191.38 13593371.63 29286453.94 11695011.33 99535729.29 109731585.6 108722608.3 34817234.7 23644941.15 22364389.32 Lys-Met-Met-Met 34442446.5 22745116.76 39905953.05 47832895.17 59773548.8 80168464.6 29227585.43 12744591.23 18600527.12 43473048.71 56373769.33 48138836.07 7853169.254 11224515.23 19489946.58 63831944.67 74286073.94 64100997.41 Puerarin xyloside 19438759.5 6599820.116 11538834.09 3034069464 2986643741 1507716006 29582059.88 9255475.392 19687751.39 2034431523 3173516394 2514608179 13775599.46 1859210.025 12608706.66 2217291989 2815656960 1763407362 2,3-dilinolenoyl-sn-glycerol 573862486.1 1561194856 1502530494 2292683789 1077657969 1545454828 1033404411 1859014809 1932920670 2426918277 1417708659 680793319.7 411667339.5 1391499310 1693802517 1887671239 908181953.8 474413178.5 PG(16:0/12:0) 231098533.1 241921048.6 206207926.4 89465591.72 103271054.4 68926034.25 125704534.9 280723744.6 222740126.5 100835472.2 180300206.5 122205777.5 249051259 215954209 128277567.7 31599716.99 105727394.6 112919676.5 Avermectin B1b monosaccharide 2072384.072 2583030.741 1123951.138 229505619 231773634 247462075 2186316.032 2037577.095 3177813.689 187836535.5 333703767.2 266257250.5 333962.7536 3143395.328 416321.3619 310069913.9 285753760 308873464.9 Spinasaponin A 33108461.43 11080634.44 35152630.2 188126938.6 301665266.1 251175022.5 45471250.63 29646064.06 8955784.614 254244998.1 307755145.8 281225214.2 18927351.64 19400098.71 15506902.1 310336548.7 186783158.2 357751812.1 Isoastragaloside II 360060.4748 149579.636 1591914.381 58161341.54 51525553.03 80875159.54 185198.7217 120402.7789 190512.8818 60236466.43 61175263.19 63772005.75 240190.0506 367799.6346 1056892.123 62275218.14 43551109.79 60148727.63 (19R,23E)-5beta,19-Epoxy-19,25-dimethoxycucurbita-6,23-dien-3beta-ol 819484.1116 623680.5092 1582966.974 382183.3466 403882.4779 81642.73215 1226736.035 742969.2237 1051993.524 396349.6206 435046.1111 308937.7094 204856.6312 2260500.619 768127.0469 190402.1646 692916.1109 76310.42153 N-desmethyl loperamide 6254087.475 13416609.78 13660448.76 8018655.433 11950900.44 12342170.54 8219758.834 13427947.95 12790336.74 9346750.962 10502280.94 11574182.06 13698165.45 10143137.48 6041206.285 12801111.69 10463040.88 10086143.32 4'-Methoxy-7-O-[(E)-3-methyl-7-hydroxymethyl-2,6-octadienyl]isoflavone 2851198.038 2799469.286 3958383.764 1464207.637 477953.0995 1779815.288 1860509.437 5097748.284 727167.7869 929582.9501 844422.514 260061.2413 1342635.118 2422827.73 6298877.073 1150593.117 13356648.82 10765489.27 Thonningine B 2445133.091 3099832.534 1892395.83 36408163.79 35989227.13 18387975.78 3387402.813 2292527.83 2816548.341 21490201.57 40512634.37 28606381.88 4169858.739 2289912.452 189664.0676 24892307.84 33941056.67 22297869.19 Cetoniacytone A 3982201.959 3619563.767 3294260.31 2047421.802 2970841.976 2757474.211 3923792.627 3990736.914 5072015.95 3364910.949 5496566.321 3203642.474 3700673.038 4523719.525 3443133.209 4168031.181 3503001.731 2995392.457 Val Ala 131598082.2 134367720.6 118890121.4 46706254.73 47613368.72 57215454.13 68644505.37 74761151.89 108554829.1 55564993.74 107795732.7 64101464.1 83717261 96438535.17 53296770.01 43947093.33 34865442.75 43927996.08 Irisoquin 1300738.953 754223.3315 1005666.635 289243.6178 143911.4594 357350.6581 1799330.845 211385.944 2462578.078 118817.4002 145861.5247 287969.8049 319154.5325 7087778.394 1325414.648 139787.1294 296108.3569 255756.0513 Tulipalin B 53935003.28 58017147.09 49002136.19 76886882.8 70527546.68 72978234.61 51135982.95 66136602.03 56802511.95 67203047.92 133923481.9 58144124.59 43045552.98 54208007.57 47210183.18 82153956.72 69114595.23 72483336.01 Combretanone E 1420695.089 14066716.61 20194844.57 3819964.772 3511138.508 4514668.907 194463781.9 15782452.74 4758487.411 2990861.068 5163266.091 2517202.476 6828770.202 222312.7656 787374.8113 4182198.82 2794077.725 3520479.516 Phlebotrichin 85312908.37 80481304.63 49269656.24 4451743.063 4459113.971 6235807.34 85698898.97 64825320.93 102206438 5272355.155 7242710.355 3606087.709 94534537.88 88292519.58 60387358.41 4889480.582 6728635.499 2766999.537 NORMETANEPHRINE 44905136.12 43330237.3 44653046.08 3280552.738 4594232.032 325883.1668 58196679.62 40477927.64 48267174.01 5464087.606 6864343.709 4390753.059 26392303.69 42325227.67 52974988.14 4359666.241 3274990.866 4749867.951 1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN 2321544.347 2355832.305 764775.635 1789828.702 3150442.938 4368711.171 4637617.623 861199.6375 2374510.842 3043113.274 1799870.953 3232576.275 1650541.823 1403171.223 2159019.372 4767182.783 2102306.503 4342872.353 Indocarbazostatin D 2943429.574 2504844.875 963671.4252 374154709.6 387601109.6 188321889.6 4769127.208 1411756.118 3906904.034 237396107.8 405148673.9 300350116.6 2120475.596 2560516.19 1505730.048 283518319.6 343639757.3 222472204.3 Dibenzothiophene-5,5-dioxide 1770594.175 1745619.815 702733.2486 1972704.12 1200387.492 3954902.315 924021.4584 1039501.126 2079307.073 1414719.86 4510907.767 1402325.187 475987.2894 1225753.953 1230005.068 1611884.872 814950.8459 947642.1932 Protofarrerol 21514050.43 12810911.74 30549514 26185021.92 19067553.39 20549340.26 15875858.28 16380982.73 28789294.51 14863735.72 49437845.19 35628689.17 12864446.1 15396970.3 17884006.65 17312138.52 42812944.22 25418825.81 6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid 22032027.52 23779997.17 43941540.32 11896028.5 12371108.24 12289974.58 35743119.82 25958812.47 35674235.83 11181185.33 8173436.384 10900226.61 26231180.49 14716485.8 40350823.88 13054256.94 4154635.981 9037485.118 (2E)-20-hydroxyicos-2-enoic acid 68933342.79 60344420.95 58229911.24 3367039.412 2146712.637 2804842.535 70568325.57 68599142.03 62646650.73 2364938.776 4119956.85 2457416.35 91188271.07 87577640.63 41630136.88 3188144.39 3776577.688 6300882.782 (-)-Bestatin 1078034.331 1085497.477 1084208.456 9242747.715 3291076.281 2291475.713 1267756.302 362789.902 1670061.396 3659529.599 2932752.249 3362373.328 263612.1157 315034.7889 284622.2051 8811339.215 9354500.116 9399506.044 Artoindonesianin O 25156696.57 30609716.02 24411395.26 2114266.812 9149897.669 184749.9123 27827320.53 28400416.46 27388597.69 1373617.158 5149687.645 520860.5219 34545455.59 31731426.56 22116389.58 3238682.002 4259694.041 2749684.368 10,13-Dimethyl-11-docosyne-10,13-diol 26726980.44 42370477.3 23809428.38 3972564.213 3191452.702 3771429.029 31020857.86 30319819.72 39884432.7 4602459.204 5187318.973 2721459.872 50904649.42 34603057.96 18400566.79 3313675.463 1665254.286 1638036.927 Gymnasterone C 922588.7431 2128627.242 1760256.989 1034922.575 753569.5961 992358.0633 425372.0463 2099978.299 1535144.004 1361825.156 1141750.682 936460.4247 2713946.119 514518.9265 1362678.534 131199.646 1306286.366 148437.3023 Delta(1,7)-dafachronic acid 17790729.6 14458609.93 20889223.59 11338248.17 5018506.138 5527585.412 23243400.18 15530495.46 15702230.06 9147988.42 9259596.196 4840184.553 12357153.26 13051041.36 31188617.88 7277436.047 8200206.86 6164184.266 Nigakilactone H 2041001.214 2617369.657 2330741.601 744155.1158 2046643.728 4536869.869 2094220.242 2009121.867 1921214.893 3065033.736 1119244.318 524402.6962 2208140.46 1932579.945 1791891.73 3241187.117 7368893.739 4579374.34 7-Deacetoxy-7alpha,11alpha-dihydroxygedunin 740841.9155 608356.9742 100680.8522 40220.04017 699097.8863 396189.3798 1334310.761 70106.50076 947624.403 640486.0746 563528.6142 131699.4377 353590.8809 230263.8244 746829.8321 861218.5804 298248.3988 614137.1216 depudecin 15585619.6 12938085.17 18056870.65 7194703.037 6282581.774 7978585.147 13181583.4 16527969.08 16641281.04 5933069.184 10900105.97 10014403.61 12621692.5 20897336.14 14966893.58 8227785.022 11523950.81 7263933.532 Ciwujianoside D2 3556358.89 1280031.423 1166954.045 23265143.21 22954973.33 17880311.24 3926402.465 1441350.694 275055.5167 24137036.1 27800251.26 28188231.6 344678.8971 1293786.38 469416.5752 35109581.39 25056767.4 40135597.63 Val Arg 54822702.26 52451407.97 44740955.97 19095566.74 17412431.17 18492544.46 31781287.39 25081769.24 51639728.84 17922445.98 24289914.92 16852096.63 26760842.06 32761067.66 19927980.81 12338287.95 10809612.21 13631675.03 Ile Val Gly 41553960.6 32972880.81 28980094.11 27944744.31 22484957.81 21828211.09 18258065.06 14975737.46 34374390.53 29274296.77 53415452.17 26195246.74 18517891.67 15188648.27 14890608.27 19993412.24 14490628.55 13479226.77 Leu-Asp-Gly 19330570.87 21339443.52 21811934.64 10394190.59 9318713.093 12539139.69 11370238.61 15124138.22 17543737.79 6866974.666 8179287.628 9977820.06 20143285.36 17943723.09 8741808.534 4697584.369 4948344.984 7907592.575 Ala Leu Glu 51837873.23 43576437.38 40081329.24 39340510.79 31402618.99 33165065.18 45202363.23 21113334.33 40810262.12 40126658.09 50098629.77 37020978.45 24097540.13 30479559.69 19727512.09 25979450.72 20352013.17 23870582.93 Ser Ile Glu 39411032.3 35443239.45 35948487.17 33610160.35 27255603.05 31389830.8 24778975.72 21084664.54 33434794.1 32064787.97 41931108.82 30344662.39 20375940.59 27043631.05 16639275.46 20776866.33 18501901.53 20884907.83 His Val Leu 13167719.35 4994063.26 5479253.646 22293290.24 16753212.54 13849343.8 10462512.52 1400499.392 10064417.48 18117434.91 29811455.59 17967500.33 2800401.635 7008010.417 4084095.678 13320757.05 12100605.84 13530093.65 Leu-Asp-Gln 29500813.72 34799325.73 22191899.18 26138375.36 19613663.5 22990865.03 17140551.54 14046694.66 24099735.25 23505862.87 32013870.98 21607872.91 13901773.25 18440114.86 13016720.54 16783316.46 21444817.88 16393661.89 Arg Glu Leu 16914185.18 10984661.02 7917743.658 9206877.811 7023264.407 7585079.174 8628701.792 4284320.072 9613544.524 10685290.96 11661186.49 10378539.32 4311623.039 7115706.536 3970946.412 5865037.132 4786864.438 5933849.839 rubiarboside G 28-al 256381847.1 72960564.09 190220468.7 877771468.3 1008260356 980607578.6 160973877.5 162886218 65241784.39 915352462.5 1000979613 1152781125 98818796.26 158781815.5 106324031.5 912500369.6 644424243.2 1058611399 Sandosaponin A 1167743.374 1634074.599 1695208.919 354027917.7 519772024.3 743058451.1 1589873.879 1324764.515 1152744.685 635604210.2 732370446.6 381710.7371 1467271.832 554065.0291 1033993.157 503252925.6 399852507.3 527294479.7 Malabaricanol 3722425.377 4551870.98 2848862.627 3509964.523 3730244.633 4840749.691 2201859.152 5090334.347 2857264.748 3015429.213 3800145.137 2569084.73 7582041.533 5248554.593 2748921.933 2961053.455 2870669.883 2702768.928 Remangilone A 22767402.53 24688248.26 21041646.23 306861.2862 153813.8326 425678.847 28984237.7 32263582.27 24877909.89 797384.9722 488596.7245 1176319.217 24618840.41 31250936.44 26348551.69 728516.9321 935915.577 1223088.408 Pseudoginsenoside RT1 22435032.33 385179.922 2247298.25 3988789.771 10648483.1 74659943.23 7119261.496 675722.2162 11484272.37 12234248.29 1986319.131 154969.078 12805745.04 9060323.615 4445301.849 7324459.024 4828930.275 20222999.79 Cordycepin 1248317.617 1282155.816 1821237.347 6128647.016 5851528.265 10435966.38 1387175.405 3276655.658 4075843.993 6251800.029 10901765.57 7150603.901 3450808.266 1637208.324 1351300.585 13759913.49 7236445.102 5578721.061 Praeruptorin E 29209257.95 22849229.72 26781696.79 36139288.56 21983771.87 20463828.53 27694539.11 28955047.54 40330819.54 17820258.98 39706861.71 17499618.99 33005170.87 34254259.7 22353994.44 29061126.64 267204776.7 15692939.99 4-Methylumbelliferyl-beta-D-xylopyranoside 3838498.759 3987332.143 3956830.737 101656.1673 136048.9517 136643.9462 3288706.236 4351027.795 2765297.42 60780.67517 69199.66383 190080.9302 4281637.114 4099462.006 4509476.074 179919.5675 253374.082 180775.724 Tarasaponin VI 105398937.2 93044744.99 163437626.8 1081573.167 5352117.222 13518910.38 268447043.8 108304279.1 143767251.2 8621176.809 414127.5431 4130048.346 160780681.4 156327662.6 177101635.4 5141855.338 583891.7659 4835714.449 Moracin O 34563218.43 22233606.37 16010856.22 33723706.17 39836079.76 42273541.68 17646373.34 19430266.56 18362076.06 34142496.41 60585464.49 37037230.24 15067570.82 18155106.04 21301160.17 39187225.07 60632455.76 60962164.46 N-Methylflindersine 21687224.86 33079246.25 23344295.13 4265307.264 2068467.064 3332558.854 27473901.77 24138322.61 26312889.27 2481634.035 6029750.372 2462874.833 33788772.58 28162016.07 19870970.2 4042825.742 2048041.891 1814512.933 Pseudolaric Acid C 1435213.173 1048558.872 1661946.305 1896010.48 4029820.599 572328.6803 1828322.616 1899905.279 1338181.743 12031789.62 42051791.64 160278818.5 1688865.233 1763413.545 1506991.785 127598394.8 39402361.52 18981648.72 Sauchinone 1865381.378 749855.0999 1319855.461 499726.4001 478047.4132 377333.7511 227931.5877 1282955.038 1219333.542 374974.3152 396104.5246 138498.5193 271716.7361 1383014.072 816726.1835 424537.3231 569751.3504 850863.3915 7-Methoxyflavone 3361470.794 2843028.784 1714995.273 585730.5728 761437.5711 2092012.677 1795660.279 807225.7071 2539168.126 1373401.11 1255150.974 1442995.4 1443565.871 1778919.364 1095096.092 394677.0767 935444.1343 618215.2701 Ecliptasaponin A 156905405.3 205395196.3 198963083.5 10988997.7 11795853.8 9368912.791 253273555.2 134491872.1 163347941.8 13257473.94 6910330.646 8742680.922 302200900.3 149884517.7 183868697.3 9642434.625 15281322.81 15121385.87 Ethyl pivaloylacetate 4734276.451 1600672.614 1545891.482 13257497.06 19560193.39 22297955.18 5338627.616 2689728.259 1196421.864 15032817.29 4629404.588 23339214.37 3500464.823 1012372.556 3725573.98 23621607.68 27886498.91 26234497.7 Apiopaeonoside 9009179.709 6979552.178 9630390.056 1358298.28 348040.2531 355467.1129 8174657.853 9379955.131 11004662.31 1365126.312 1531075.626 630349.1561 9678940.609 11179073.54 9814869.666 1361646.936 1238435.368 1878481.541 Obtucarbamate A 4132157.195 2461747.295 6006620.773 1357388.173 86952.08138 48152.87974 12750487.34 2785194.881 3629166.869 343113.4638 1508712.242 550228.9858 4866093.571 5336482.464 9392080.422 105185.7349 312227.9259 210978.9334 Bacoside A3 431613.2761 150189.7149 1609722.625 11236251.07 19620381.3 21676382.09 217885.5215 111746.5581 1215593.537 15878726.24 12834385.44 15289219.54 1335507.825 2481543.004 1282735.328 15277656.88 7657401.087 13242814.57 Quercetin 3-O-beta-D-(6''-p-coumaroyl)glucopyranosyl(1-->2)-alpha-L-rhamnopyranoside 34441578.96 52391005.76 30995384.09 1288974.658 1174179.266 1367164.849 32950419.76 34878336.44 51035911 1587327.486 1632383.384 1238390.129 52199204.65 46763797.51 46418369.43 237756.012 1291313.423 1685460.776 2-O-Acetyl-20-hydroxyecdysone 926566.6949 70253.42457 1330902.408 5759773.545 5362827.689 6348623.136 563266.9244 1165885.997 174387.6685 3730273.932 9274680.136 9329289.413 1367144.948 69921.04079 40977.0401 6629041.074 17277331.76 17648496.22 Lotaustralin 7767531.2 3855932.888 2923607.082 1223155.173 1255661.871 917419.2313 7185455.796 5629672.036 12187438.07 1172040.447 1134212.309 887700.6591 6075541.127 6452578.953 5584387.539 747559.9858 777432.2412 744087.7332 N-Benzoyl-(2R,3S)-3-phenylisoserine 24178421.04 20081264.15 17197638.29 364118.6582 241142.1845 469235.7124 51434417.49 27556896.19 20549015.13 1000904.576 1910715.771 258139.3335 31151120.59 21223338.34 32260166.27 1657796.17 406403.61 371497.3446 Ganoderic acid G 9004405.73 7280270.57 8791297.989 3508051.502 1295488.007 1565203.649 10156498.36 8425691.19 8100790.325 1445055.148 1585177.547 4335962.999 10888944.52 10227314.98 10600230.48 5587575.179 1735998.305 2275482.133 beta-Aspartylaspartic acid 26176696.28 40113464.46 39276867.11 2622821.947 3771681.925 1339131.227 73544949.37 57969613.4 45478613.33 2565097.504 2627412.095 1631562.208 61156461.78 31296272.18 38058575.81 3915307.486 2376249.121 4134004.944 Colcemid 9097845.345 4596368.009 6890977.407 3673585.099 4175519.987 6119048.061 8007363.844 5045272.97 7044825.976 5390312.882 10341499.26 5417703.907 4643450.702 5810867.289 5955910.223 3458087.36 3010209.323 2697991.677 Anisomycin 861015.1327 1262990.816 2555701.302 1714538.973 462479.8198 1709716.527 514504.2047 2481759.84 1461254.888 1029689.058 1827651.63 1270333.306 929153.3 1936778.796 3100006.689 1224188.607 1136387.256 1039380.864 Dimethyl Citric acid 8497074.946 6579161.473 8792386.621 5338421.011 3979851.195 4543077.827 5402732.657 8273804.987 6052653.441 3315071.19 3646731.195 5314890.066 5659482.961 4624646.681 9398514.464 8963559.528 6209395.393 4297560.963 Ailanthone 8509134.238 5095523.852 5301624.213 4580705.511 1666215.007 1727846.543 6384359.748 4820840.953 4119499.173 1741251.437 2007697.491 829251.3783 3666297.28 5696498.315 8465677.797 1492009.563 2620642.843 3578626.704 beta-D-Glucopyranosyl abscisate 8007866.443 3871140.31 6296899.748 839855.7663 1899873.149 2818508.963 5409397.216 3312026.508 7168470.997 2603569.472 1952080.117 3585211.842 5778967.135 5920377.691 6070866.32 2917343.273 4291451.511 2303993.356 Polyphyllin I 1438284.413 1596933.473 1739710.665 32630588.11 27376218 30472449.87 1585686.221 1456185.115 1285107.928 24963919.57 46691348.7 36157073.42 1578886.716 1791018.421 1200589.749 40686617.98 34217032.46 33281684.58 Castanospermine 3797835.319 4369959.242 3826881.742 964166.5129 876535.2463 154632.0163 3943129.909 4686818.195 3848982.815 865791.4391 1115060.028 1231615.57 4699287.416 4144978.102 4107329.226 802279.5293 259189.405 1134865.159 Puerarin 6''-O-Xyloside 30356117.3 5256761.19 12111012.04 2706125365 2935864398 2148167324 41270841.57 13798005.2 34903735.17 2378142203 2862331830 2109216258 1699888.05 1799027.078 19222569.79 2624001351 2890261268 1970871423 Coniferin 3214752.295 2852325.386 2301172.513 5671343.537 3674541.956 6776557.179 2312347.494 2365467.433 1701029.597 4713741.57 2554513.354 4064982.251 2047725.964 2241525.96 2378057.575 4746912.908 6569236.22 8697689.637 Rhodojaponin III 23123593.74 18618584.99 24577360.98 33142402.16 32725295.73 35116871.29 24029929.47 49180865.7 26654993.31 36477849.6 31501732.21 5813055.441 21810761.12 30701873.66 43459693.57 36512517.6 77909176.37 58717630 Pinoresinol Diglucoside 4201716.144 3718430.747 2826579.101 1011142.445 948888.3833 1057362.574 1371758.576 2250861.35 1572096.902 115910.5139 607262.6085 147207.7621 1529023.727 2362592.591 1398538.186 3211244.234 416580.859 1239783.572 Cinobufotalin 501009.9549 70748.7952 330066.8028 535403.7953 689675.9506 1288870.146 868722.7114 196381.2693 165967.5401 813945.1068 294437.7704 761190.8281 239105.9941 112858.0673 345850.6091 589207.6584 800354.5054 1343024.124 Norbergenin 7093291.444 4579760.462 9818071.467 7713236.043 3145401.023 3547486.102 6253076.658 8133189.694 17852447.89 3645581.788 14351719.91 7578905.582 6150908.353 10486168.59 5737782.608 3047633.278 10251439.99 10049938.92 2'-Acetylacteoside 8502818.624 2429231.004 3927689.654 4305684.784 3510541.053 2667582.393 6455147.33 1733603.61 5265724.329 3134328.085 4602163.464 2020767.976 1882970.783 3271538.099 2538995.625 2907770.107 5907425.569 2400581.008 Sibiricose A5 4766161.991 4377999.385 5843663.256 427525.0724 616775.6298 111538.898 4416914.288 5124252.643 4678296.009 1040046.879 466841.2594 442634.1432 4487638.356 5568162.607 6590976.187 830606.0815 605244.5357 981796.8577 Bacopasaponin C 6471026.864 11680586.85 8101556.767 481426.8862 167117.0765 205294.711 7032152.426 14054306.14 4514058.373 1420985.482 1429647.105 737314.4642 27963892.68 12557223.27 7209771.009 492552.1701 372736.3868 753139.7401 3',4',7-Trimethoxyquercetin 1588116.034 2840192.099 2653548.802 10116860.92 5673858.663 653316.0495 3628400.945 2421754.348 3941529.045 6602869.618 9969641.995 6997543.989 2679090.422 2904429.363 3800864.711 18364174.14 43942685.04 11521189.85 6-Methylflavone 7411221.99 5969891.513 4663376.237 3335619.74 3239361.812 4110883.602 5316234.701 2621357.669 6499566.58 3650374.535 4862645.755 3311446.558 4440698.376 4319054.578 2856288.655 1483949.425 1602704.191 1680475.239 Crenulatin 20801377.08 20197324.92 27272859.88 19031953.39 12258085.31 18708982.98 11808441.17 16894977.82 15697292.92 12873853.8 14670957.56 11126694.22 14104201.46 24416163.72 14324557.79 15763980.61 13717439.06 11462372.65 Albiflorin 2494779.29 1544802.025 3424253.65 10667180.2 7695101.76 8186642.3 2210051.231 1482148.852 2274855.482 7848831.563 6853737.602 7268754.044 1971011.818 2004536.401 2263454.698 8234827.574 13340282.04 10020612.16 Polyphyllin VI 79208218.48 70532189.34 59484855.82 521805.3132 623355.6947 1436605.826 82578260.37 63127287.15 165110150.6 4255529.47 1236629.145 260173.672 53564820.49 85750652.46 113450075.4 1595688.146 1096432.502 1798811.02 Evodiamine 10400748.89 11258301.4 8236780.969 2681811.933 3522127.763 2461952.372 6727421.705 9857939.37 5729939.512 2994647.644 3628181.376 2033187.339 9987040.76 11757667.57 7507322.079 2665670.997 2885122.886 3842696.248 Diacetoxy-6-gingerdiol 9509860.223 4653223.816 10781676.01 74317816.17 99395269.48 117634903.4 8686400.177 10658002.56 1130054.466 102052469.2 178481524.3 230260.0013 6154585.188 6770630.641 7507420.429 110224173.4 94304439.22 98005607.11 Echinocystic acid 28-O-beta-D-glucoside 217382354.4 310608190.1 193550083 13870896.97 6906884.139 12100362.9 309357468.6 254354552.9 473216363.7 8062468.776 10843408.55 11559536.67 341517560.2 256846795.7 142906836.8 47038488.33 12105719.23 9187067.084 Helicin 141752450.9 122916811.6 139942381.7 1045781.682 2131953.572 3483454.071 112064862.6 164740927 132965441.5 4001848.493 4709176.16 8130852.87 157346778.1 142659866.7 92795667.4 2179283.362 6446895.362 1733324.011 Taraxasterol 2039724.158 18411110.36 18997293.71 32744264.74 2056595.855 2128224.735 2908661.759 13919852.32 47583191.28 7134055.27 736763.5009 3202290.68 1788496.234 20746981.99 26607572.97 27243646.94 1519751.965 2951319.412 Kalii Dehydrographolidi Succinas 10635993.68 5805731.493 8709233.466 1358298.28 1213795.778 1522666.305 9236608.468 5647860.265 10404361.4 146896.4401 1531075.626 287882.1452 8943761.977 6886210.444 10227547.17 1025066.189 935915.577 1223088.408 Daucosterol 116824017.8 146133285.2 103178211.7 198540728.1 172115283 185049328.1 144711507.7 126566832.7 141809916.4 152822739.4 169122117 220293466.2 165517784.1 96207747.7 101830455.3 127688123.4 195313510.9 198251939.5 Prostaglandin E1 172644233.2 111417375.3 54286963 77637935.57 81489194.51 129688069.9 129561556.4 67565658.93 106760375.1 81804103.14 81848744.5 22666834.36 58720269.54 73240759.16 68160929.07 117571926 176438267.2 158418234.3 1,3-Dimethyluracil 9233971.215 3062033.93 6210373.261 489397.3356 39877.86703 266819.9625 5429047.883 5390061.084 6801395.4 517672.9748 653853.2318 473691.3313 6103130.666 18552800.46 4111706.383 300624.726 412185.5265 573824.1617 Calenduloside E 256758340.9 474638453.2 270804219.8 7803301.346 3598165.647 954412.2385 301225458.6 212303848.6 123880081.7 3960179.547 8205455.468 17915991.76 427429775.1 306058383.2 219157139.3 5126525.727 14422879.03 11700645.43 Canrenone 3746619.619 2935356.817 3715150.133 1913659.996 1108765.317 1990297.467 3139614.392 6307164.308 2960800.056 2138057.434 3659825.379 1902012.781 3573091.228 4021915.012 4659677.189 1452420.559 5343946.525 1353612.326 Benzyl benzoate 393273.7857 2133357.317 1417028.319 225050.8053 288900.1602 227123.8433 257722.7017 497979.8126 1333793.165 315424.1198 162279.1297 122586.1861 188912.6178 1324913.566 434215.889 365242.452 110022.9381 185410.2296 4,6-O-Ethylidene-alpha-D-glucose 20720615.63 4269431.734 21420153.51 414793221.6 394491516.7 432112234.5 14044277.47 6098727.235 13012839.2 421481149.6 464843391.5 454218649.2 943182.3488 4644660.713 6156014.589 472463019 471038614.4 380079873.3 (R,R)-(+)-Hydrobenzoin 261354.0489 291063.2727 258535.8354 145616.5623 247853.0784 203166.1744 266247.0994 282821.1824 263893.4362 199781.6047 92508.76627 136148.0741 275173.5925 263437.1087 280818.4526 175741.2778 185872.0811 200635.8287 Prostaglandin E2 113831047.9 137431610.5 88550211.1 18950751.93 23527487.43 12805962.39 171118513.8 161464596.7 103698040.8 22977334.27 15205806.81 10549082.25 200983661.8 113413669 130526867.2 22188573.42 23565094.69 28679167.89 Minoxidil 16658544.09 8621434.217 14517898.55 42380657.98 36005828.62 15161999.33 14724513.03 15230643 2824265.974 35994297.93 9418540.737 44581228.62 4939722.915 10370182.55 11039702.52 42251672.94 56189107.32 39100875.96 Astilbin 5447930.084 7190446.499 5915740.373 17755423.32 4660386.94 3716734.771 2458255.634 3436972.961 5392396.184 4196792.708 8124680.977 6090061.856 3734032.873 3688848.467 7701964.827 4759529.739 7877023.248 5652913.61 Arctiin 14347283.63 30222386.25 14147645.88 2522081.002 3446087.921 2394610.095 14812977.1 17938097.63 27419479.26 2862044.148 3364746.37 2005164.957 16846237.26 28528234.4 19038565.91 2757990.529 2728556.192 3697302.487 5beta-Dihydrocortisol 26726980.44 42370477.3 23809428.38 518072.4871 6188475.665 2514141.851 31020857.86 30319819.72 39884432.7 4599697.083 1516952.987 1291893.948 50904649.42 34603057.96 18400566.79 4971018.759 269793.9376 3106258.587 Cafestol 13128750.44 11039043.55 11259088.86 145304.7625 263730.5387 209434.4146 5952098.848 5144518.418 14802173.02 121980.1425 637199.9301 385052.935 11335675.63 11088671.71 4089538.566 519516.6556 808341.9923 614389.4961 Tributyrin 36436837 31532629.88 32275970.55 299103149.5 836109996 940137104.1 46226491.11 40193592.56 32518213.07 588024611.1 224704551.1 429357512.6 49632774.35 36199449.2 48656741.99 946003789.3 560260158 602644355.3 Sulindac sulfide 1175654.084 1447588.824 2403612.172 8105682.409 3357720.301 4213366.359 939009.0075 560066.3032 2783022.83 3619860.64 7059156.441 7074333.781 907556.6938 1548753.378 2557386.873 5176704.086 14889202.68 23257205.84 Nitecapone 186026.1531 191868.9805 79082.31301 469608.034 76876.00757 107411.454 413370.2346 149908.4707 316345.4713 275308.7449 391110.3761 233240.1283 218692.2063 380765.1645 160531.2082 461065.0458 140691.2335 90224.03445 7-Methoxyrosmanol 8491590.731 3697543.193 6400781.002 10238552.96 14872049.53 15597011.67 5879813.439 7182147.977 2594735.383 8096497.185 15944856.42 6777432.288 3812375.786 2991097.332 4822406.149 17516239.63 11649954.27 15381484.88 Prosapogenin A 12319158.1 12128045.13 20731571.42 12550760.58 16702876.12 7109037.057 10185332.05 38256115.31 19164382.18 8533371.94 16640009.64 100545.34 15682930.78 8474811.744 22449458.3 19067651.5 13022934.84 17645721.94 Hexahydrocurcumin 10434289.02 9147763.166 9159295.621 1245848.845 1113508.008 1489249.466 9872451.959 15050642.45 14147543.33 1615200.214 1479831.078 1291008.595 10490654.84 11586625.51 8373229.098 1015371.326 1292812.904 1038235.398 Tracheloside 3810161.495 2161350.295 2447281.648 581794.7505 764007.7863 2278150.548 2843613.484 766182.9884 2048773.924 737925.5527 1491558.59 649525.9517 2699292.474 2713784.157 1498793.834 3128297.26 2055283.942 1974730.52 His-Pro 343440163 610306269.3 299802986.5 26149595.9 16182826.45 30727050.81 233937448.5 394826425.5 493018603 15988660.22 28255059.7 60462368.06 551588423.8 660696389 636417801.4 16645133.82 3786987.168 3537352.178 (+/-)-Dihydroactinidiolide 703369.8721 567207.2491 606289.6222 252456.7175 472669.674 165202.5018 2545103.521 147187.8561 1878878.843 234967.6526 530274.4179 523218.7961 309703.0535 1039841.875 1210674.977 364574.9997 539007.9736 139368.2044 2,4,6-Trihydroxybenzoic acid 10496219.15 9248878.323 8028269.884 6670636.598 6538534.819 7681474.21 7110894.878 9418914.8 9935014.564 6102898.897 5628076.32 6594387.194 9876924.949 9970516.668 8659638.139 8570572.321 6558012.427 5623002.282 Asiaticoside B 26726980.44 42370477.3 23809428.38 34736782.36 57420185.79 58230557.16 31020857.86 30319819.72 39884432.7 49446869.18 42627202.29 6301383.85 50904649.42 34603057.96 18400566.79 62177668.15 53208308.46 42125373.19 Licochalcone B 391801.6033 401728.432 938861.8521 522519.1267 429094.4926 326047.0894 299577.6605 306979.916 784879.9902 603589.6162 240997.2561 291839.4012 1701974.885 212920.2119 326614.945 861990.1287 573080.8617 334402.4947 Cryptotanshinone 24567166.98 18368806.91 19872330.14 3418156.117 3994116.628 4787228.776 13737396.38 10776514.68 18795307.33 4782906.289 6578112.436 3860027.115 12140144.01 13513044.95 9314384.807 2887705.679 2548062.031 3180844.465 Xylobiose 3747660.848 6465347.531 7243271.252 12351224.71 4681506.226 13278004.9 4216084.766 2323183.359 5206592.1 6580151.676 23392269.28 11316403.6 4063338.056 5827585.577 3829583.698 5441050.683 10308559.18 3683091.919 Framycetin 69855241.24 94053361.03 84029939.02 2538548.648 2831396.472 1202685.265 85540462.37 119647070.7 165774437.7 1921352.029 3246846.227 1723656.015 186241595.2 209345621.9 164623641.4 2039320.537 4386515.687 5818655.6 Ala-Glu-OH 430315.8093 81969.04798 667184.0085 3345662.074 1556181.105 2432695.525 551089.3282 67003.63189 1080355.393 2260449.263 4178137.281 1826420.614 530583.2755 229055.4748 534532.0226 2111434.53 1270847.472 4124545.255 Guanidoacetic acid 20616290.44 15830334.78 23913966.28 5676671.878 6804045.399 3879224.649 16550153.61 19923029.85 13858694.82 11060818.07 7535427.26 6805711.224 11842200.7 11415186.34 20928177.86 9765172.138 5447133.591 5711371.082 Glycylproline 11356991.84 10347299.02 10353517.07 9352390.29 8397655.148 15348715.62 10016672.72 9715692.601 10656812.89 8225902.331 13881626.86 9848301.405 9648467.979 18746018.51 8694103.855 13544760.11 11165520.4 8171605.005 2,6-Diaminoheptanedioic acid 5658380.463 5682944.238 4513190.548 4869592.357 3323799.951 3385158.765 2872114.165 2541453.513 4597929.272 6988788.998 5991761.737 3808631.148 2608322.068 4288977.184 2279867.272 4901941.733 2672983.811 4858969.032 L-Ascorbic acid 7754795.444 7564362.921 7984583.596 5219724.893 4609123.66 5670776.031 6504339.089 10429227.04 10000357.51 2334662.093 2964698.911 2267001.313 8400483.8 7943001.258 8044608.506 5585792.726 3418888.627 4318615.461 deoxycarnitine 26347445.75 7207101.217 16537308.1 6122087.763 9596857.184 5968299.034 45777965.86 17543576.45 8866797.179 10468783.99 6724656.371 5889233.285 5618577.956 6092833.585 12938590.38 7373135.926 7211216.627 6887428.029 3-methylglutaconate 1130895.793 1204933.331 928274.7669 1184416.603 2144691.872 2435556.124 1619854.633 1058658.818 912846.5859 9051872.404 11131184.79 1293031.677 594656.9571 980395.7914 3089014.69 2005929.226 3093420.54 2867590.688 N-acetylhistidine 978883.4135 233768.4376 182826.0837 3556625.172 3569169.699 3368381.631 140329.3941 13294954.05 334462.7963 2841035.668 5617756.857 2895996.683 135142.4623 223195.4937 86800.34803 3685249.55 2489177.438 2907415.325 2'-Deoxycytidine 616146.0428 506484.9927 87507.02205 2617381.335 2861224.089 1339127.427 738285.0426 774444.1723 664671.6708 1522018.951 3414617.69 2106347.866 925251.0158 175493.5739 51956.47279 1611631.091 3669828.894 6462476.367 L-Xylulose 20240533.87 12281444.81 10911152.38 19378672.73 10463489.03 10466863.18 17913548.2 13344944.04 24795378.16 9602546.847 23740269.26 10754632.47 22260467.6 17891286.68 12195451.93 7604878.315 6558563.639 2517240.463 Salidroside 8761127.057 12535266.76 7387476.413 7469213.573 4111795.391 5294878.322 7369725.526 8946451.772 9146858.156 6245941.266 6002389.273 6586986.459 12922775.98 10065966.05 12430139.82 6323357.769 6539448.864 8995179.282 1-Methylinosine 6692369.59 9106391.823 8154371.657 4468146.6 4305176.876 4957120.313 6894629.096 5704205.9 7725573.291 4956064.232 1709980.297 1139026.35 7099967.084 9856948.443 6673712.231 2571469.789 4155423.457 3413227.061 Thioctic acid 15044363.65 16293769.74 21623477.18 10128317.23 12874184.82 13863176.45 13330900.48 18593191.44 21510754.42 8371108.682 18945536.48 10091828.07 16825975.53 31871907.53 19843343.85 19819289.72 17240346.24 9469786.519 Zeatin riboside 5817445.607 4219361.293 5452839.616 1250087.438 844358.8757 1297694.792 5062986.782 6804056.442 7123755.377 1522022.942 1974725.922 907330.0785 5148928.08 3625780.305 5460216.283 1015165.897 1591998.532 1658650.608 N-Acetyl-L-carnosine 802407.991 444440.7645 619292.162 417560.9049 405129.1772 399853.7377 425025.2794 765644.453 372535.7661 286334.0378 286449.0662 389215.4249 273583.6275 487449.7228 474563.9766 324915.8098 475410.6282 322516.3652 Indole-3-carboxylic acid 15747330.07 12125916.31 19465428.68 4370044.672 5206446.729 2704820.032 13740814.42 17238013.37 12561330.9 7897337.223 6379176.521 5086862.74 10236537.63 10492690.15 16853832.4 7677054.665 4704706.047 4280485.499 Adenosine 285199.2384 167007.4423 53421.68355 234568.9722 820085.9454 349349.0358 741584.0145 368366.3324 82927.05202 76422.13659 204521.9702 325436.3684 55025.57849 208283.0213 934234.6422 679298.6253 192126.0706 506609.3652 Anserine 2200921.437 2136637.812 2226805.938 1341807.726 744856.1257 754887.412 414260.3207 1869419.317 1092471.177 590279.4472 1324413.631 466980.0779 531367.0487 966440.0034 1817986.461 577271.1866 54544.90096 428209.2618 23-Norcholic acid 3955679.791 1227023.795 2140943.04 32572307.22 51771718.38 27933805.07 1332285.509 1536288.907 3881249.21 21324306.73 15686425.29 36118817.61 1094720.174 1324166.94 1175815.561 21344561.76 32128809.33 52094007.52 QUINOXALINE 2383611.603 1338009.577 2802909.178 35757.65638 40477.61543 68003.81267 1765359.94 2158679.166 1456851.648 933939.3009 22347.47 15733.50925 1068798.932 1425958.165 2668068.949 21267.45028 971350.7209 52656.24364 Cer(d18:0/18:0) 44468235 11651486.04 12490152.52 52723742.21 55797074.48 63128298.37 45155061.69 7063989.55 26903243.62 50893197.83 37924983.52 49395724.01 14159507.41 2849169.974 9778670.53 42872036.18 58185823.63 56465606.29 Uridine 5'-monophosphate 2223238.405 963775.395 2012239.104 226427.2696 547744.4486 1044719.688 1955832.124 1078587.139 2175141.726 904848.1819 1021024.93 937467.2879 799656.0021 1633903.292 1627596.024 873147.5026 947071.6296 548644.6993 Allantoin 26317390.93 26644940.55 25776527.14 13535150.12 14190100.54 15379547.06 19282357.03 25187546.17 26111548.06 11631835.61 13390367.66 11766404.88 24700913.34 24352995.94 17680836.66 14137135.98 13472627.28 11821903.93 Hirsutin 4916780.821 4892820.983 4789037.573 1559409.303 1344491.949 2889286.527 5721952.073 4414566.802 6664077.519 1147713.025 2423564.16 2661606.105 4731484.584 6728706.547 4200076.312 2216253.398 1901197.819 1119246.006 Temozolomide 366798936.2 331327776.4 386985954.5 5118608.232 30854652.05 20648387.88 252107336.1 272880618.9 276743880.5 13140552.45 5200734.096 10391621.54 421226581.2 235921144.3 358964191.8 14373177.76 17090616.26 10992401.88 Acetyl tributyl citrate 6890417.158 6161044.362 7267403.689 5254207.605 6905354.873 7457408.801 8838889.283 6645798.512 7533379.971 6306433.098 5231550.35 6117736.153 7226575.18 6573884.518 6263860.56 6848167.041 5191300.762 5754246.798 Lumazine 1132136.869 1191575.651 1017882.799 680701.4913 598061.4111 725565.1918 701265.8842 1020904.094 1299637.744 617551.9448 620406.155 532841.7384 807570.9128 872282.0725 769256.9398 658889.717 695066.666 513998.3337 gamma-Glutamylmethionine 1368298.637 1311085.645 537922.3531 2821382.912 1672397.539 2727381.7 461188.4031 196176.835 692451.3932 2421220.913 3397165.728 2182921.88 418439.3261 234048.7832 188976.0298 1707879.22 1021315.205 1679970.607 (E,Z)-2,4-Dodecadiene 2798385.685 4317394.952 3603768.774 2522081.002 3446087.921 2394610.095 2134327.173 5875721.182 3004642.381 2862044.148 3364746.37 2005164.957 5942060.465 5562498.882 4337197.406 2757990.529 2728556.192 3697302.487 PA(13:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 2176387.414 6961895.587 5706094.803 213477.3459 247654.9664 177739709.2 4150831.603 3691879.114 7891541.932 379690.1672 284638.6565 353593.7479 2987851.371 4268158.536 6000741.576 917310.2053 458665.1202 1234896.185 Heptulose 70586589.07 66320702 72342525.38 21013790.8 33058828.27 41761733.9 54759027.77 45895826.78 88696729.84 23500531 27957333.06 14434284.63 45850656.27 47176291.97 54965798.7 30487053.14 37759388.85 18743888.56 METHACRYLOYL CHLORIDE 529286.4262 618700.6986 468155.0634 260241.6701 332367.6533 235959.0542 377636.4431 581167.9227 620199.1769 289254.0471 245902.9899 335310.9826 523727.2784 592042.5804 421324.4785 337146.7582 338095.4477 191365.1888 Iminoerythrose 4-phosphate 7720570.704 7396175.319 10751657.27 293938.5349 268784.9051 488012.151 7422796.907 8244316.079 5195664.286 1420985.482 281980.8002 211311.8398 6668781.052 6519565.272 8716566.527 1202212.91 512609.0657 213996.8095 (R)-1-O-b-D-glucopyranosyl-1,3-octanediol 2372963.173 965166.6453 915804.6978 327777.407 1343482.676 1864210.347 1823242.203 1530880.06 14382906.11 1324995.382 1382913.257 1319616.117 1039251.974 2514439.082 115407.842 311428.29 2268212.317 747036.7307 PA(i-13:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 7090785.201 4799238.425 5682065.04 159992.942 168252931.2 177739709.2 10790632.11 5099012.112 11311799.45 70624.34876 168357733.8 160278818.5 6793814.46 5073890.429 4167979.903 163055238.2 166582511.3 161332204.9 Uralenneoside 2923595.055 3294863.978 2902734.226 2479909.472 1832788.894 1846688.894 3850735.266 3155143.018 3401430.347 2960006.453 1522896.216 1203696.283 4951451.309 6681314.287 3455552.744 1791082.443 2860573.523 2182206.233 undec-10-enoylcarnitine 156165.5932 293630.1095 579261.2589 12912033.24 9554915.878 6632165.202 155571.1021 918626.6574 678226.3342 7506397.03 8018982.38 11872173.85 1356841.868 805474.3892 596555.1507 8988171.702 13916962.42 12824795.5 PA(13:0/PGE1) 19431355.48 15619935.15 18259691.65 4105992.927 2467809.577 2277375.633 16273216.74 11118046.74 21851233.68 3170837.225 1847771.671 1780411.116 9479358.317 15230224.36 15712299.98 1710778.105 2146265.414 1834711.124 6|A-Hydroxy-7|A-(thiomethyl)spirolactone 3186674.848 1724484.878 2185405.154 6388197.826 6633482.985 8158836.839 2278602.969 2340367.791 3793641.255 6894628.408 5504252.132 5930874.156 3872534.807 2851285.065 2230005.775 8526031.87 6529978.432 6586514.435 Goyaglycoside a 26726980.44 42370477.3 23809428.38 8327455.432 8400156.477 10013073.15 31020857.86 30319819.72 39884432.7 7193281.511 8251392.142 8841040.489 50904649.42 34603057.96 18400566.79 7155915.403 4345978.404 9423736.745 PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-15:0) 4788311.83 6615558.546 5230043.47 1674750.062 1297293.154 1697756.484 7649747.883 3897524.226 8404855.307 256519.017 1793834.847 1267958.464 4775867.36 4341833.13 4923512.024 1115559.24 1160168.478 853508.3699 SM(d18:1/TXB2) 8854219.768 5956966.979 10325326.33 2075839.187 544705.4712 580642.8582 2756396.628 4570914.184 4644876.986 188172.6493 324224.3548 2667636.379 6565003.326 12277045.62 6158687.54 469225.9928 421262.3718 463382.2745 PA(i-14:0/PGE2) 20731486.78 1610163.913 16544694.86 47722799.89 50463529.56 28792364.23 9473769.885 6090788.73 2387162.454 36565989.95 59436216.42 29385576.59 2637024.406 15954685.74 17277063.85 28098929.75 65508988.57 46405145.2 27-Norcholestanehexol 8467484.823 8041535.835 10483638 2522081.002 3446087.921 2394610.095 10995663.78 30029620.96 6172914.781 2862044.148 3364746.37 2005164.957 29680520.77 6488269.652 8580663.936 2757990.529 2728556.192 3697302.487 PE(18:1(12Z)-O(9S,10R)/P-16:0) 31322019.93 24870429.91 27321437.46 24879848.08 29020390.67 30017707.64 51814038.53 31820711.34 23993623.77 22550005.29 28453357.29 21152518.75 39581713.04 32086267.05 16170420.23 23811947.15 8684117.242 28756860.76 N-(3-(Dimethylamino)propyl)acrylamide 17314968.58 18592038.09 14119646.47 15649154.74 12621992.8 14394955.29 10797222.79 9311124.805 16410655.47 14133820.35 17980509.33 12243524.92 10419718.25 12351589.11 7927573.04 11221138.71 8248440.233 9700828.446 Cadinene 1757520.249 3064023.947 2001157.883 2522081.002 3446087.921 2394610.095 1491655.414 4841538.285 1783517.693 2862044.148 3364746.37 2005164.957 4090148.74 4304785.467 3076206.632 2757990.529 2728556.192 3697302.487 Octanedioylcarnitine 762636.3435 926634.4765 916208.5981 9217956.746 11088268.38 7469941.158 980715.6011 1450964.87 1132310.048 6256949.335 7590254.216 13310158.55 1749698.495 173863.8344 391324.3785 11963563.3 14249372.71 16398123.17 1-Isothiocyanato-6-(methylsulfinyl)hexane 15971151.61 20854533.01 21414439.85 1168990.775 1209611.073 1521275.569 26918105.78 32835433.38 17977694.48 939931.6526 886512.3636 4366335.751 33974712.18 18118545.69 20047092.47 4317476.405 1894764.876 2662451.653 PA(20:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 220952388 292643828.4 262865193.5 4666507.527 4255996.045 5104629.675 203729187.8 343741271.9 255996076.9 2792907.601 5942722.823 3579527.401 434877450.9 353536444 225618053.4 4885497.684 3667656.729 6929975.797 MG(0:0/15:0/0:0) 28053521.27 15809464.12 22306666.58 36885815.59 83871531.85 95266840.79 50457071.88 17416670.75 23025083.03 74849207.48 47534607.45 57549153.64 11015532.47 17163943.6 14292760.4 81203525.4 41785714.76 80913548.81 Gemopatrilat 4437312.544 3284016.441 4529150.119 2522081.002 3446087.921 2394610.095 2649372.74 3086886.811 3380100.9 2862044.148 3364746.37 2005164.957 2536567.393 5542989.309 2222810.479 2757990.529 2728556.192 3697302.487 Allosamidin 70303434.53 84301883.17 101364902.1 102145.9063 1155042.768 1318918.776 75206651.27 104701252.4 93262904.49 1540589.76 1503705.073 1194976.756 141704451.2 122420770.7 143243400.7 109753.435 1330221.372 1864136.736 milbemycin alpha5 44123728.14 7090734.64 1299990.728 78889110.65 41220010.11 35626948.68 48945138.04 8752331.079 8370292.287 33839216.93 54202812.8 41515211.36 22775080.45 12801843.33 41694211.99 53263096 29099940.1 95021239.26 Guanabenz 5578556.471 9197527.874 7876980.77 2522081.002 3446087.921 2394610.095 10953902.28 6138137.324 6149454.845 2862044.148 3364746.37 2005164.957 8686916.978 5798613.779 7191321.475 2757990.529 2728556.192 3697302.487 Glycerol glutamate 2613160.917 2983661.479 2518379.062 911703.4494 1968997.369 3047458.802 2553621.31 2859153.875 2682000.373 1865854.591 4138481.888 2748259.6 2338811.961 2249497.336 2502659.028 2616127.427 1794276.781 1145717.367 (E)-4-Hexen-1-ol 289172124 279570877.8 260493326.4 294839218.7 264356452.8 302572580 275289660.9 265437317.8 306071606 263419692.8 76840627.25 212589259.3 281581526.6 293981324.9 265195702.5 94289015.65 207850818.4 179555210.2 Metallibure 251914.9656 185898.3251 1591914.381 24086572.26 11464056.87 15218013.27 27813.93345 1313351.626 996353.6104 12014233.88 20111979.33 15199563.01 24280.05076 36880.69256 1056892.123 9324265.989 10100910.52 7061311.764 LysoPA(O-18:0/0:0) 20601560.47 43621912.62 16528577.45 91420.67533 91962.58586 1522666.305 12099385.69 38936901.42 9612642.613 112240.4992 1531075.626 1176319.217 16149952.87 16568825.89 14785951.82 1025066.189 213253.2405 1223088.408 Mahanimbinol 10350463.17 12272362.75 9760763.227 3481591.544 9491638.577 8199118.563 12123051.52 15949181.2 5879290.012 6758231.008 15421114.32 9237957.806 15854248.16 6110074.509 5510259.554 7980203.452 9136725.515 9197448.094 1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone] 3776424.194 10104863.17 15162225.95 10132055.12 4476293.48 4283706.087 4196533.671 8750244.646 15569370.71 9082300.846 6352044.113 7805143.193 5381734.982 13419780.27 11019168.36 5492599.772 5381100.312 4955086.483 MG(0:0/20:3(5Z,8Z,11Z)/0:0) 34673997.18 26813710.34 33465492.12 6157529.773 12948690.86 9742104.141 47059709.22 33566516.05 26631476.89 10563067.08 4324688.673 11770120.87 62189131.32 37941832.7 57545074.51 9724299.642 7483474.104 9693506.817 Clocinnamox 8766538.835 8152347.622 5991957.851 1065029.062 1162270.85 613613.6708 6956255.041 6541145.151 7399912.203 950368.4742 1446144.935 1055477.113 11661039.81 9436521.903 7973985.554 1206782.225 4112173.239 4298517.402 PA(19:2(10Z,13Z)/6 keto-PGF1alpha) 709419.2513 3033736.87 2534619.424 2896192.657 2840725.476 2861743.483 5433050.718 2460673.134 6480883.418 3355937.989 3445916.176 2222735.281 640636.9534 2288107.983 4656544.206 2862714.007 2889793.193 3595389.703 gamma-L-Glutamyl-S-(1-propenyl)-cysteine sulfoxide 716470.5955 1169154.823 1460257.778 286375.9204 280898.3971 203090.1202 831816.6672 1226991.651 1078351.024 162352.8197 370089.4675 448386.7541 535550.4003 1483708.696 917314.5953 364687.1395 430619.6566 127629.0179 Dictyoquinazol C 67860524.06 43412241.93 52693199.07 5856671.716 3185824.682 2310780.141 62744442.62 57069886.44 82183048.35 1075292.625 2816576.987 3545666.81 69379155.65 55240246.49 60144875.51 4975660.551 5378908.11 5431772.928 Etimizol 1099942.347 973205.1755 1262984.533 275213.4189 54056.72206 51459.1122 1303092.605 1799989.382 1495694.963 52549.31859 165863.896 136694.2374 1993725.56 1793497.014 1143085.093 37199.68129 203622.3734 215765.4841 3-(2-Hydroxyethyl)histidine 4421095.718 4343242.141 3688542.211 2656103.096 2153899.232 3313203.238 3533438.964 2005380.936 3883278.98 2360498.004 4113477.029 2915854.373 3043998.402 3558136.608 1856634.246 2880309.322 1279621.622 1131658.44 S-Japonin 879168.2134 543489.854 175931.9317 1195696.237 997408.7883 1418159.551 199865.3182 315141.3979 669498.8808 1144905.263 797136.7509 1723272.615 883965.5164 810821.1529 392318.6104 1624830.55 1567878.626 1539053.923 PA(16:1(9Z)/18:3(9Z,12Z,15Z)) 42092005.68 73345153.87 48897728.83 9507054.458 2180399.059 369988.1118 93118647.01 57990654.95 83923314.69 6660466.738 1515982.877 288374.1523 167004312.2 112736294.6 90243219.29 3997704.486 889205.1787 448834.9232 alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID 4078681.12 3949397.972 4956115.117 3369931.415 4463114.226 4021963.097 4434631.127 3018837.04 3606444.232 3687646.227 6000176.306 3803778.948 3106426.553 3959479.811 3011532.416 2125652.802 2083374.664 1798914.276 Methanethiosulfonate 2436483.143 2238784.245 2320930.733 1276130.158 2123155.829 1453311.227 1273614.579 2358000.078 2611612.54 1378174.588 1489869.967 1318921.713 2098263.215 2204190.879 1232314.514 1519288.265 1186153.638 1980158.096 Ethyl gallate 167734.1595 279240.2471 242250.314 3837840.856 4110099.782 5011007.53 842331.4544 219315.7266 797031.652 3175433.848 5148179.419 2613405.546 937081.624 110319.1639 195625.7536 3987686.555 3514332.533 4407677.105 2,8-Dihydroxyadenine 1078426.179 292708.8069 999176.9424 255520.497 315758.1146 110306.0014 936564.4727 1630557.862 2065980.793 102618.6891 334902.4166 276464.4071 241795.9832 739568.4068 669565.797 24247.35761 32505.9175 278304.093 Alconil 1040118.88 1365120.431 598169.202 25530630.6 14002890.58 5110976.033 1533483.498 1279894.202 214998.0441 11427190.18 11099754.89 9149370.254 2141170.089 1794790.579 136184.3781 6064044.466 9865281.907 8830600.656 Arginylglutamine 4133486.507 4526858.957 3250977.501 957103.6306 1236996.221 906352.0231 1878814.194 2065017.586 3096753.331 1533857.279 1259306.929 1177498.695 2185511.888 2749883.833 1104682.2 616060.454 269461.5363 1013138.229 N-Gluconyl ethanolamine phosphate 338917.7762 602678.1956 574597.5027 753096.1303 1067971.909 1330008.016 691075.0771 261321.7276 465727.3021 1437150.486 1376442.803 645774.5601 423209.639 722372.9244 235255.811 1766956.354 1031177.865 1396029.506 Prenyl glucoside 786007.0114 480508.255 270328.3139 433536.3713 388426.3196 613945.2488 624728.2694 227062.6669 302205.3234 855321.4667 950175.7663 668806.6579 229774.7552 234083.6235 429596.8878 337373.4448 110385.6157 295792.6643 2-Oxoarginine 105480720.3 117477152.6 96590677.14 115444663.5 76477939.46 121196124.1 87608599.49 92655026.56 140247458.5 115284522 227012117.2 197322109.2 125102005.4 112198171 97154886.79 143410634.9 60929530.22 108845742.7 N-Palmitoyl Lysine 1151728.141 160395.0863 3359605.48 7878335.943 11229520.29 8888915.521 1769529.435 2469047.35 2866260.784 9011694.343 8456859.005 4301738.529 343052.3178 11581888.97 3727219.088 7060904.214 4714433.098 9637802.238 PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-14:0) 5146127.764 4445830.044 13596123.23 26255466.69 18154853.23 19046380.42 7786536.575 6177086.598 5807211.465 22402941.42 29975634.52 20643827.12 4456766.703 5454384.752 11135687.16 25231412.22 47647736.67 38661738.83 N-(4-Amino-2,5-diethoxyphenyl)benzamide 9472167.028 7452577.008 8536355.211 4783319.678 5640433.067 7402258.303 5364110.721 4149634.663 6849666.954 7376728.487 7382431.379 5658033.94 4073798.41 5742519.285 4765412.086 6102887.483 4738813.671 4339684.776 (9Z,12Z)-3-Hydroxyhexadecadienoylcarnitine 21692749.5 28021113.09 19618932.99 9897216.01 12393327.38 14356127.67 24753495.92 21812205.74 26491414.04 12442579.73 6284872.214 25026561.82 28554171.51 28655292.09 17468842.59 15803629.45 18763070.5 8826388.367 Aspartyl-Histidine 1609027.699 1985624.706 1839135.297 3686506.638 3732106.007 3600527.426 1727042.765 39343.13404 1990213.825 4282661.893 8294539.871 3366809.168 1990786.315 2311664.414 1640522.052 4409702.499 6183112.591 8713415.191 Alanylhydroxyproline 3349095.211 3496324.362 3725849.086 5495131.499 4875760.024 2221254.24 2194997.785 2024038.184 3488455.849 3343266.904 8410031.521 2471907.127 2271126.435 3313932.753 1126264.685 2759266.35 1567566.017 3889934.135 N-Stearoyl Alanine 2521393.973 2363690.081 2818664.613 2009538.379 1835788.65 1899399.833 2233301.866 1562846.686 1987908.746 3360930.122 2191229.91 2011968.183 1148280.803 1923130.975 2011198.219 2855306.237 1939440.211 3091796.377 4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphate 2031008.778 4594165.952 3099439.64 2522081.002 3446087.921 2394610.095 1360540.041 2275702.946 1869067.308 2862044.148 3364746.37 2005164.957 2637166.309 1529429.225 1691187.903 2757990.529 2728556.192 3697302.487 Dihydroalprenolol 1484130.919 1231959.047 1466842.285 1401357.507 680959.3716 832968.8173 544114.3275 954259.4304 1223301.096 1045201.857 1556285.194 742538.8464 1010337.544 2449706.158 1086457.224 837828.1585 48670.64672 374798.9509 Aspartylhydroxyproline 26726980.44 42370477.3 23809428.38 7106191.367 10433054.73 8912830.721 31020857.86 30319819.72 39884432.7 8370118.632 7807207.855 5133222.367 50904649.42 34603057.96 18400566.79 13351600.35 7176480.44 12501042.04 CPA(16:0/0:0) 51735109.6 24051182.66 28147245.85 29631407.5 44098569.42 52424580.53 34536649.85 24990464.85 25456922.77 40950484.81 35887744.03 43646861.91 20645457.23 24704962.83 22798747.28 73157637.64 40059223.01 63631480.59 3-(4-Methyl-3-pentenyl)thiophene 123838005.6 104334917.8 120708197.3 88390111.07 82166122.19 85189879.55 132363636.6 107626616.4 147606252.8 95745533.8 99788172.84 84233583.06 88305620.51 109409212.6 99756540.36 62319268.83 57845853.36 72473937.92 METALDEHYDE 5293553.102 488848.6057 303324.9375 899998.4765 154857.2009 855949.9099 981820.4383 628637.8053 10913575.87 3255659.548 2566979.884 9689300.843 826206.9882 3953732.912 123364.4185 2442351.405 3354460.002 3896275.364 6-Hydrazinylnicotinamide 765028.9358 657068.8453 866420.8385 2493674.263 3269537.223 2470891.852 1066287.888 1008828.388 741424.1311 2792087.781 3274671.526 1867022.971 958798.8997 1205717.069 1077695.237 2681282.091 3272294.747 4295087.005 N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamine 1253325.424 1464996.741 1839284.812 79669.94966 687791.4052 1230450.097 1645383.479 2305603.248 1932294.531 1015627.85 1283527.792 650564.5691 2522675.268 2640995.612 1341485.853 840344.6284 859807.761 94053.62259 PA(8:0/i-12:0) 1005826.157 1028110.605 64000.35622 13596410.79 9097821.187 13256038.35 91434.03471 126603.3084 115337.8844 25867622.83 9762106.01 108423671.9 1538530.503 139828.9003 1077384.36 19743188.71 12147066.83 18633106.41 gamma-Glutamylaspartic acid 13544090.81 13394227.91 28614542.89 31719115.51 28897918.14 41738288.87 20088739.94 12054513.53 12990336.34 33587198.75 46840556.74 30028870.54 9743932.631 19380199.81 11050918.68 45647831.5 24964236.83 31580675.65 Glutamylthreonine 12883814.71 14890203.03 14398872.12 26044015.29 35132777.75 30229756.65 11681282.54 7950642.315 12340135.93 32631774.51 42694111.85 49570348.99 9304803.159 13295655.79 7808740.883 35750452.76 26720593.2 34901777.39 Metomidate 2966221.343 3277317.156 3439375.444 2238113.143 2000722.636 1713021.474 7700491.776 2654895.711 4453500.217 2086311.303 5059452.562 1903802.973 1958322.163 2905016.358 2574550.287 1855677.816 1338228.519 905289.4534 Valylasparagine 8933713.112 8438976.976 9336912.313 3979394.103 4517348.724 4744293.653 5495158.122 5795054.582 6280632.184 6946134.022 5649297.4 4441313.92 5302511.063 6164061.182 4154900.123 4727328.654 2761033.969 4088538.52 PE-NMe(16:1(9Z)/15:0) 7635022.269 3147717.051 4965156.401 2969414.093 8828046.064 9515270.383 7862702.027 2717801.293 3725185.199 7357723.706 3897825.226 10360398.94 4199255.432 3391806.302 2532912.753 12520092.76 4806140.803 10309809.03 DG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/0:0) 126043507.4 140710593.6 433794094.4 235216989.3 86622557.3 88138010.55 87207054.54 126706749.2 283874583.3 140691530.3 71125750.19 63232223.14 77962207.96 371227798.9 265188826.1 211988376.5 74817315.74 56530477.79 1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid 7357428.307 4938772.462 7723163.725 10761145.21 6552936.338 11703973.95 4561893.382 9951517.6 9673711.911 6982877.363 14248461.99 11190698.06 6724603.375 7762722.94 7079599.46 13796432.36 8169080.629 9316523.601 1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate 8699478.136 3314847.87 27275162.37 11883511.53 23901748.08 10334120.64 15614637.22 7029153.783 39210479.6 14943996.57 25028762.7 5416956.542 7355215.03 8481075.295 10542100.05 14377990.22 8365701.694 3671558.855 PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:1(13Z)) 26723077.23 33292055.63 74511892.43 136367.8736 687866.5858 1308527.233 36742710.32 75076877.94 29574586.28 1647645.956 1190344.302 1424973.462 103450774.5 53861351.49 44501401.77 808070.7247 2580161.293 987270.3915 Asparaginyl-Lysine 195255.6908 395961.9773 1988898.701 3379010.446 4775745.561 3960640.156 152473.5212 757638.8551 533374.2864 2993527.02 6207763.91 3539416.685 739790.0525 685149.5241 413493.3356 1920766.03 5285898.069 7834321.727 N6-Galacturonyl-L-lysine 1450269.179 2030818.3 1657546.263 396648.7405 161214.2101 693295.0004 1499720.037 1761627.609 4224555.833 179706.1548 976104.0521 164535.1688 2918353.989 2526399.373 1467944.248 214664.5135 431243.4009 498631.6636 H-D-Tyr-val-gly-OH 19516618.11 16920105.7 14972079.5 20346282.04 15191931.74 14608760.88 11083093.54 7377146.643 18402382.42 16455446.16 23603716.07 15810923.57 7430581.661 10860927.44 6730986 11441435.86 9496575.64 11114834.37 MG(0:0/20:0/0:0) 174947192.1 110105986.8 98328702.03 75234123.91 87134125.79 114392522.3 80799805.94 102849891.8 127445510.2 124721659.5 69637960.87 59873626.95 113180016.7 135819413.8 117895636.7 56825881.82 71148107.1 65953815.87 5-Hydroxymethyl-4-methyluracil 3343223.812 2059966.466 3018568.702 1067996.884 408775.1059 824210.2238 5144125 2359506.327 4510962.056 464888.8428 484608.9579 2106906.797 2645857.281 4418613.734 3084533.121 705388.6927 276130.9551 260248.2163 6-Guanidino-2-oxocaproic acid 7440020.293 4247668.33 5642854.947 1839816.334 1029470.039 1755277.63 5755346.847 4381108.49 6037305.087 1486728.448 2776483.042 3271845.495 6476780.857 4693128.992 6179271.582 1969549.808 1186580.946 1295225.48 Flunarizine 2154028.946 3704606.819 3752543.889 394619.218 284660.3147 689309.5558 1017508.469 1682895.123 3395802.48 456656.1881 525781.9453 740895.7553 1674253.179 2129848.194 1005606.067 446415.3303 417763.0127 90672.42952 Methyl methanethiosulfonate 1008027.986 1186406.084 952571.0483 1225896.859 1018375.76 1181879.624 985301.0726 1110224.826 1366776.155 949949.4183 774354.2411 896885.8125 1182091.354 976805.7495 852532.7411 1053959.984 1031443.118 860079.5078 Lysylvaline 1496802.44 1529431.104 1703482.355 3720726.495 3887657.841 6770520.771 761324.2356 437107.6252 1834500.718 3740803.47 1966682.683 3763330.475 633981.6669 1099321.788 320786.9135 8559064.91 19653895.22 24801338.38 alpha-Tocopherol succinate 14744587.47 10645498.07 15074166.38 9481200.362 19650428.55 9902637.793 17185301.21 12319294.28 11531595.45 12190441.87 19133253.74 12532395.21 4825667.306 7704821.734 11050073.09 10097568.91 10674417.59 11471883.93 1,4-Undecadiene 3151806.881 4787960.412 3750077.237 2522081.002 3446087.921 2394610.095 2755825.722 6850195.97 3122921.773 2862044.148 3364746.37 2005164.957 6368863.498 6096384.505 4949274.306 2757990.529 2728556.192 3697302.487 Octaethyleneglycol monododecyl ether 915976.3578 448639.8741 1008712.552 1303123.024 1556303.802 1817949.916 614234.7542 900985.1318 561230.7043 1613510.089 1578408.145 2058384.579 908300.8671 820596.5595 1176860.374 1368820.406 626371.8837 808024.9687 PGP(i-19:0/20:3(5Z,8Z,14Z)-O(11S,12R)) 14161919.12 18473506.38 12072327.85 517153.3512 1213795.778 1522666.305 16887280.27 18122498.53 9188926.525 994931.5046 243677.4106 453754.9256 41685750.16 21008405.01 14536550.35 1025066.189 682795.6775 565397.1755 Sulindac 5137503.223 4286746.235 14101076.19 4276809.249 751056.128 2043890.635 4499764.962 5636794.648 6441993.283 3043856.369 4483372.083 7519564.272 1846858.001 4318850.944 17898404.19 985320.6224 7652588.719 7008671.976 EPIISOPILOTURINE 20634600.21 11438151.18 15846788.6 1445124.814 1102968.488 1155369.656 15610418.67 13842862.04 17741941.05 1929770.157 1589911.554 980065.4016 16329306.48 17531067.15 15965914.77 2061411.394 1511895.228 1756707.538 LysoPE(0:0/18:3(9Z,12Z,15Z)) 10721432.74 12404470.25 12759110.62 323496.1152 1354527.441 260447.7943 8401137.421 18273048.75 7376958.76 687031.5342 411116.2728 1246990.924 15413343.48 13728046.47 6180084.64 2075154.395 840876.0965 678373.3838 Chlorogenoquinone 5791610.03 8234904.878 4304781.212 118044511.1 116829207.3 61464324.95 3480455.747 8251460.948 10326897.7 75135405.78 119550751.5 93778784.23 8576970.079 7357308.24 3756063.474 81671257.86 104735438.8 69772266.26 MG(20:2(11Z,14Z)/0:0/0:0) 26726980.44 42370477.3 23809428.38 12676512.91 10863448.67 12287130.52 31020857.86 30319819.72 39884432.7 12975378.5 12620101.97 7310437.93 50904649.42 34603057.96 18400566.79 12204969.37 4197347.03 6392880.337 MG(22:2(13Z,16Z)/0:0/0:0) 2112421.893 2033397.962 4286722.917 4451972.288 6170192.818 5439564.087 2869388.316 3240030.646 1152957.922 4340155.128 6728269.945 5617673.181 2722368.43 2909082.671 1742502.213 4612542.829 7516144.51 8854822.658 7-Methoxy-1,2,3,4-tetrahydroacridin-9-amine 5041942.697 12155774.05 8570906.994 1229714.223 1278330.142 1519177.48 4924122.496 14879856.29 2856048.101 1620541.461 1431231.102 1337204.088 10073611.63 9295341.181 11850491.04 1272720.825 1295477.208 1173287.723 L-2,3-Dihydrodipicolinate 16370050.54 12322472.27 25549845.28 21259215.56 17008124.43 18648899.56 17185289.66 22770401.33 14679978.76 19998864.4 30389647.03 17965202.74 14461736.17 17671214.28 29416794.86 31254896.7 23145873.76 22754855.1 4-Methylcatechol 1-glucuronide 64351029.48 68730528.87 61418275.45 47054487.32 38892421.24 14448193.94 61021210.06 61478851.02 63981640.23 33372450.64 44208119.06 37520819.62 239313121.7 67067264.1 60746253.23 23851207.82 34370486.43 27288008.18 3-Methylsulfinylpropyl isothiocyanate 530528.5021 712256.2976 632289.9387 324356.0423 361073.2722 281997.8521 464934.5534 584641.0115 680086.0231 316282.5842 314776.4516 362320.5026 957775.0956 766409.5558 560397.4492 325130.9836 343521.9361 232746.497 PA(20:3(8Z,11Z,14Z)-2OH(5,6)/14:0) 47399485.16 32594919.94 38387857.96 36173462.83 48550798.57 32706799.69 43498049.73 32379717.24 30340827.9 36064451.94 71190614.46 42399974.44 40846575.66 69988688.94 53838092.97 82804173.09 46662505.67 71960635.91 N2-(3-Hydroxysuccinoyl)arginine 5123355.43 5472701.636 8086765.341 2870399.261 3421863.392 2184695.724 3494901.772 4267384.327 2479682.795 2913548.304 4219751.445 1970382.242 3252507.068 14016835.03 3674835.298 4909142.072 3555650.052 3864993.351 Hexosylsphingosine 2631402.221 2469086.107 5594494.484 6023089.662 8124860.829 8058085.862 3418068.886 2090226.492 2355551.315 14080103.03 13220000.2 18540659.51 3888674.434 1784675.651 4487760.076 24757725.16 24612188.55 22242783.15 gamma-Glutamyldopa 1423782.455 1101642.054 1771687.622 4485080.32 3740598.081 3302330.917 1771549.855 1138376.881 1862595.021 4025168.289 5514853.549 3374039.229 702222.1208 1650690.443 1997470.087 2952537.773 5310638.821 6163417.744 Therafectin 1356711.925 402662.7632 2052162.11 3111840.5 2868419.35 3616367.628 1570525.774 3127585.144 133736.8182 2074527.687 1373071.792 3511911.793 763461.2118 1163261.447 2131589.714 3868464.025 4175046.604 4430745.229 Isoferuloyl C1-glucuronide 26726980.44 42370477.3 23809428.38 950259337.6 987530340.5 515648109.2 31020857.86 30319819.72 39884432.7 609035538.4 988442938.4 829359255.2 50904649.42 34603057.96 18400566.79 712912012.1 893208002.1 581997696.5 1,4-Diphenethylpiperazine 12568790.72 6473452.793 7608465.192 32035854.72 19218487.77 14450455.19 9782589.98 14401885.66 3291937.633 12407863.53 11947129.12 17960608.81 6757591.705 5989771.676 11796296.35 14612935.93 26018151.34 29820129.62 Flumezapine 561328.0208 1300234.02 2266457.979 2522081.002 3446087.921 2394610.095 2073037.146 2526704.826 4852564.236 2862044.148 3364746.37 2005164.957 1660119.658 3304307.737 2967128.502 2757990.529 2728556.192 3697302.487 L-Acetopine 3229272.764 2301322.199 6338429.054 6581853.487 5878717.441 3445672.572 3827283.524 3780598.973 3081980.58 3835123.313 6532310.188 5662353.633 2086353.028 5065052.502 4053300.4 2898822.101 4446182.135 8250091.978 Decarbamoylneosaxitoxin 67936293.92 104868911.2 154069773 1007111.519 1854003.03 3811437.535 119734387.4 34986767.67 57259268.93 6031846.491 1402219.645 2422224.119 111902910.9 57663235.72 62844501.37 2358878.289 1685116.845 986766.0504 Hydroxyethylflurazepam 12575294.43 14242692.53 16383901.13 3409198.456 4911973.748 5685521.304 18033687.56 22976478.53 20805561.66 4823016.403 4665526.467 4144585.224 24720531.63 18181679.81 23053130.16 4922460.005 6075066.398 3792306.899 MG(0:0/18:1(9Z)/0:0) 293063902.7 197381132.5 278810099.7 473314232.3 728607412.8 1024361746 388454661 369520881.2 211823849.9 546470090.6 346140316.6 866887977.5 190299353.4 162895024.3 300040471 907293906.7 997932702.1 1203466646 Prolyl-Methionine 896696.1216 4855074.513 1018723.48 12273314.9 7837023.174 10030433.12 1254220.042 1158565.492 3404949.159 10299940.99 9621577.653 11515926.3 2050872.653 1422131.488 1340942.718 10672572.56 6688851.628 8547488.258 N-Linoleoyl Glutamic acid 424347.7456 172587.3524 1719065.24 9290206.579 8434307.998 4807354.119 1167259.402 603807.4681 1035756.282 7264844.894 6602667.086 9954735.851 223104.968 844337.3408 1395646.19 9396135.974 11323112.22 5856979.515 4-Hydroxycrotonic acid 57139672.1 56580478.5 50930934.34 62899198.11 55130200.03 63069106.28 56021964.16 57391945.69 62911428.75 54450012.77 60095682.06 53183762.17 56182561.93 56444650.88 50705507.71 64311754.06 60576285.91 51291303.67 SM(d17:1/TXB2) 6236275.757 3685448.512 15781858.75 51700832.43 63184110.24 16867987.22 7412675.387 5426100.062 16463530.71 43875508.8 38664621.27 305566.4511 5036247.902 3176877.625 46501315.13 55119209.47 28737494.5 20492247.69 Diaminobutyric acid 121991.6058 217672.1457 115713.3139 654413.9519 2118933.789 421392.0849 98821.06519 407349.4996 141966.0104 626370.8358 1392599.613 481413.1349 457985.9745 343842.2427 7526672.693 1071495.04 1369466.132 925149.3939 PE(18:2(10E,12Z)+=O(9)/P-16:0) 473438.2439 844808.4622 1801667.692 1207650.775 1647396.099 828877.5797 1790166.797 320019.7014 1732238.36 1638049.665 2735013.237 693080.8267 380281.0533 150755.4415 638877.3915 6784296.857 970143.5868 1250265.911 3-Phenyl-1H-pyrazole-4-carbaldehyde 8343592.425 4748366.067 11113331.36 3501591.104 2402807.153 3482592.89 5913109.047 10868604.23 8176115.178 3146385.414 4711283.735 3047341.008 8186828.848 7203966.847 7575777.219 5462537.073 3377836.903 3416419.025 3,4-Dicaffeoyl-1,5-quinolactone 1543005.636 480654.1988 285490.6256 3875343.593 2433458.413 1880045.847 914905.9614 596461.4249 1720953.458 1831914.687 6079329.149 1846619.819 174229.0788 270897.4135 216814.1134 2779464.086 2510949.55 2424677.037 5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine 1064065.053 316450.1129 1519333.609 291309921.9 261578160 390350518.5 1529786.891 1336759.56 280848.2567 312072087.9 277876051.2 183187795.8 187749.9336 253996.7748 1010450.481 376895422.1 282321402.7 395243977.7 Phaeophorbide b 230597412.8 252074100.2 324943967.6 5143044.079 4542599.536 5889758.443 325462108 235553079.6 353789974.7 12270730.31 3531207.307 11339657.96 240267845.4 223313850.1 290493828.2 8114879.643 715362.8836 439648.5334 5-Hydroxyisourate 23866687.48 24407214.27 22712765.26 13275435.14 14017645.8 15219622.44 19783132.1 26020565.98 24697548.36 13335681.27 14025254.87 12863881.77 26353919.24 25078337.63 20531038.28 16304741.33 15816059.02 13265443.08 Dehydrophthalocyanine 2944703.321 3300790.157 2110576.406 2522081.002 3446087.921 2394610.095 1286643.081 1231938.842 3450351.597 2862044.148 3364746.37 2005164.957 1440867.208 4137531.568 1242914.304 2757990.529 2728556.192 3697302.487 LysoPA(i-22:0/0:0) 1754503.644 428509.0546 398609.4195 25061173.68 27173468.22 38177405.07 1326354.554 154210.0874 544533.0018 28167559.6 33269782.81 25724562.58 1278460.279 418769.9733 147372.9499 28626571.49 33054117.34 32774020.84 LysoPS(18:2(9Z,12Z)/0:0) 7941841.155 10528666.43 2703255.758 1128868.512 1904130.981 1922999.957 14446613.43 5152625.138 8500551.764 2295060.734 1865722.753 3397334.287 10814312.39 4906896.455 7323971.224 3158945.629 1749758.92 3302043.338 Lemborexant 67613401.43 55765529.53 86395812.36 73918653.6 23031560.71 29455875.67 34291315.44 49337003.35 46388345.21 30919183.44 88053397.54 35338190.41 28446965.47 44893727.81 55707512.94 36961906.96 41331590.78 29186261.52 Succinimidyl acetate 6280650.795 4199279.676 6454729.406 9200816.192 7573634.072 9821623.829 13876578.98 7091638.133 7685331.608 8677853.979 13878077.43 11166049.89 6791479.837 7379217.574 4698219.406 13576558.42 11040600.62 8778590.612 PA(20:1(11Z)/PGF1alpha) 158708452.3 78365848.42 90267903.8 12052379.21 13515984.76 16185716.61 99963720.29 159526829.4 141139686.1 11782131.75 12407197.93 13445177.53 166858379.3 177583729.4 148744085.1 16003223.46 11118114.1 2165198.047 Heptane-1-thiol 4721551.785 4108276.027 3908616.793 3968304.104 4052185.105 5069089.272 3372173.948 4746015.687 5090414.579 5253153.102 5718041.489 3857126.31 3184521.388 3732605.141 2023725.673 3069533.111 2525382.671 3228297.121 MG(0:0/19:0/0:0) 8545656.956 3445123.124 4605499.158 6524839.59 5407000.661 6600874.167 9062877.353 4710143.74 3172275.178 6849667.906 4468650.332 8084155.983 3729600.992 3875260.29 3824962.906 5346488.544 8835890.686 10667049.01 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline 9764221.711 9348957.705 9074177.906 5262455.37 5428976.708 6121598.544 7818277.675 10079484.85 9825289.36 5288573.878 5469343.976 4931719.782 10175664.84 10301435.25 8356273.401 6492661.981 6426055.162 5314272.432 Glycerylmonooleate 1508604.551 294347.4 549448.0025 25971166.22 68273957.14 51611729.47 5579806.465 1218085.048 957483.2599 52993628.11 28537223.69 38796383.56 481354.7832 424589.741 683873.7245 77155366.37 39472607.59 66921147.02 4alpha-Phorbol 12,13-didecanoate 10241720 2700588.686 9736084.387 3844400.545 3081860.197 3556530.318 8205862.916 4144211.479 3798318.582 6838978.435 16267372.89 6067196.151 5300711.063 2267053.222 4142076.855 6280748.851 9186572.322 9679942.709 1,9-Dideoxyforskolin 786302.6454 1937678.304 2055861.343 2522081.002 3446087.921 2394610.095 642569.5955 1063245.332 2020406.406 2862044.148 3364746.37 2005164.957 2742146.578 2664987.557 527546.748 2757990.529 2728556.192 3697302.487 2-Acetylisonicotinohydrazide 341952.9717 378762.8859 1966487.226 1985905.311 2215269.877 2146459.06 638499.3952 567038.7482 118530.6271 1775895.555 1786130.995 1903461.217 265540.0456 459418.6186 1474307.781 1400896.389 2011024.137 3288016.281 Garcinia acid 2594303.46 2802806.74 2966920.828 1399326.134 1565714.434 1658382.148 2287839.123 2958830.564 3078239.919 1557049.059 1448345.544 1406769.927 2884640.513 2726828.535 2115250.339 1663687.85 1717932.403 1397304.474 (S)-9-Hydroxy-10-undecenoic acid 5325031.589 3697038.663 4435467.8 5709307.796 7671077.209 8003845.498 3746219.418 3821849.861 3917936.853 8466320.729 4475000.391 1828164.839 1887031.127 3529840.245 3901959.514 9753462.8 9089547.385 7109063.993 4-Oxo-2-azetidinecarboxylic acid 3607366.678 4044447.961 4314121.087 6645557.26 13706504.49 8507945.208 3830837.651 5366283.704 6868174.217 9375652.094 9780361.394 6154683.712 3681623.782 6384406.813 3816883.794 5377655.121 6016930.802 5625517.199 Asparaginyl-Serine 824474.2483 1396755.236 2014701.399 3752403.176 5211577.695 5624784.005 1149397.295 420748.2422 695678.324 4900566.664 5339245.574 5051332.332 505739.3224 1262172.562 1102408.759 6301007.414 3605520.546 7029857.864 PA(10:0/PGF1alpha) 541712.7897 386902.61 296751.2679 315715.7905 361164.9517 160511.7471 904492.3042 460018.6102 586956.9513 405696.2141 381089.0538 192345.3509 496247.9073 421650.0049 458072.023 336767.7693 318710.8108 799607.9011 Erythro-5-hydroxy-L-lysinium(1+) 3748454.482 4154581.852 4177551.446 4506092.697 4126687.314 3739908.537 2880097.553 3413277.13 4177293.031 1760365.693 3549851.034 3150655.205 2343857.781 3267416.788 3137950.127 3533148.542 3271291.791 3177530.728 3-(3-Amino-3-carboxypropyl)uridine 12121580.4 9272435.367 11624150.43 5624232.302 8438018.54 5212877.702 10016557.49 13034465.9 12267294.35 4794142.044 9679345.369 6151994.697 12489941.24 12317029.2 11161337.65 7850595.219 7270247.36 7726793.757 PA(14:0/20:5(5Z,8Z,11Z,14Z,17Z)) 2762810.608 1461169.912 2298557.842 2681811.933 3522127.763 2461952.372 2424295.471 1682513.997 1554360.031 2994647.644 3628181.376 2033187.339 1151857.549 3404632.037 2115317.998 2665670.997 2885122.886 3842696.248 PI(22:2(13Z,16Z)/PGF1alpha) 15955626.26 32320976.41 9768099.039 2522081.002 3446087.921 2394610.095 23523590.96 15989079.19 11319715.83 2862044.148 3364746.37 2005164.957 47552447.08 29689947.81 10129145.09 2757990.529 2728556.192 3697302.487 4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid sulfate 18050418.16 21362170.24 15244233.94 296166.444 176091.037 187895.6921 4655666.564 25473953.91 5511785.081 221567.0721 482179.1669 370051.4291 17303529.8 24047825.16 20583693.37 51325.6975 515972.3401 245895.1549 3-Pentadecylphenol 11540610.83 13268037.58 7802716.01 22669636.14 22119390.94 23647131.98 10147786.39 15603465.73 10601021.16 24893019.7 25103342.18 22821454.65 10719776.26 9777230.387 12663566.72 32372253.31 32600867.53 32650717.91 Serylvalylglycylglutamic acid 2979280.769 2667914.935 2947443.781 3108923.433 2621774.861 2938236.547 2089056.887 1357140.202 5527929.495 2430310.053 3491223.275 2668260.332 1610217.765 2498263.737 1581587.979 2019714.615 1792913.03 2211147.653 Tyrosylglycine 12052192.97 12721534.82 10892086.04 8773316.723 6799766.818 8659660.109 10280347.93 8990705.292 10958105.83 9530942.504 10759452.95 6621730.626 10585443.33 10809375.44 7397181.156 5889791.992 5041653.246 6755835.314 Nigellimine N-oxide 3369781.386 5410145.943 4392353.029 4625006.095 3923185.89 3916575.676 3764821.436 7883353.576 9000110.336 4366730.832 7688133.784 3245860.409 2747498.025 4269777.851 6287074.243 3533086.685 3181327.179 4557591.447 PA(5-iso PGF2VI/P-16:0) 17884202.61 16445739.46 18041899.03 32032512.55 27797251.8 21473671.58 17362202.49 16070963.66 15643385.01 22228916.2 33790768.87 31132664.32 12978007.37 30714046.39 17841120.93 31864100.76 45976479.15 45330289.3 Erosnin 4100514.213 2408333.851 2334763.655 181833.4797 168948.7629 310951.3665 2810490.666 2384980.249 3358898.534 383353.2502 200222.3126 70773.64303 1951738.36 2210169.133 2236288.761 558434.2747 581843.8874 591242.4653 8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3-diol 2783013.709 2110549.944 1378383.429 14176050.88 4083177.406 2410325.351 2608160.341 2137111.935 2620017.391 2577574.944 3248657.32 2165785.078 2580671.578 4802450.222 4477402.449 2174375.729 3626406.63 1147398.621 Glycylhydroxyproline 1444900.698 1833889.934 1997133.98 1681096.099 1432724.561 1213454.507 1062891.726 1040015.644 1136668.482 1560849.805 3152042.527 1498114.438 611844.0311 1685849.132 712179.7751 901884.7245 973116.8896 484890.0316 Pectenotoxin 7 26188091.08 24952430.15 22637085.66 756579.9817 628189.1111 1219274.131 37731486.16 25483833.91 11587198.18 1431610.477 1789582.971 1176319.217 22160827.67 27916155.94 31871856.23 1695195.88 644225.3622 1449756.5 10-alpha-methoxy-9,10-dihydrolysergol 1263080.814 91061.44431 112575.199 2405332.272 6715290.619 7270773.355 1502652.378 1395688.89 1144089.369 3929170.621 1882470.912 4177490.31 149040.263 1688497.113 1180897.219 7885126.365 3987835.57 4983766.426 Val-pro-pro 11269856.58 8666059.881 14257168.05 8319153.262 4886123.795 6351611.188 7165318.936 6563300.385 10829013.74 7165809.405 12100731.26 8641575.614 11617540.39 9275905.754 5604689.545 5301961.888 3898789.345 4514852.042 Prolyl-Arginine 15638369.32 12046690.8 10275165.56 4147417.617 2219403.179 5621547.592 6835844.839 7233446.639 10614137.77 3715677.021 5609479.654 5447746.111 8457096.545 8619319.191 4507007.69 3546220.739 3015882.122 3115734.998 MG(0:0/18:3(6Z,9Z,12Z)/0:0) 656957110.2 496832386.8 223759003.9 114677183.1 475051132.7 680081400.7 769643851.4 272765622.7 521666783.5 1063790881 654400217 650282974.5 379557885.5 130895109.3 314471514.5 1592514375 350048054 1188628707 Cinchophen 536133.6704 387759.8002 672762.7903 877596.7778 1200431.386 2134976.999 849658.1374 510669.7001 490571.2546 614067.2346 1439568.214 781229.1777 1061262.588 653672.2559 908913.6662 560418.6617 257263.107 528737.8825 (all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol 15453796.23 14265609.02 18809965.02 21682501.7 18331556.41 15783151.47 17193501.04 21181839.93 3000492.675 13336672.02 25928464.65 597126.9723 18084843.41 16400542.57 16465335.21 11388487.51 15371413.91 14701699.48 PA(i-12:0/i-19:0) 1049475.452 2365005.17 6947046.742 5384687.174 2241803.125 5439988.63 1777999.843 1837866.891 8118890.154 4058820.842 3056297.649 1625325 1046165.148 8166857.925 2851405.486 7531807.671 6572355.946 2591639.892 (2E)-4-Hydroxy-3-methylpent-2-enedioylcarnitine 8435826.078 7469529.021 11214879.75 1358298.28 1213795.778 65591.64326 7002415.239 13895861.58 9978188.105 49588.51939 105316.1841 1176319.217 11513342.26 18473233.49 10182865.79 120010.5268 42581.39312 56546.45251 2-(p-Aminobenzamido)pyridine 3157721.893 2953510.336 6336007.58 2522081.002 3446087.921 2394610.095 2123228.085 4232944.238 2861318.744 2862044.148 3364746.37 2005164.957 5576815.777 4025023.134 3084320.858 2757990.529 2728556.192 3697302.487 8-Azabicyclo[3.2.1]octane 1976852.783 1811773.81 1958135.222 445051.3917 401210.945 236137.5701 1222626.294 2090581.24 1701341.211 352897.2196 376512.1074 570956.5237 1030682.722 1863777.002 1693222.689 728444.8045 755826.1628 781179.1023 Cilostamide 912243.2209 1038903.646 1428638.025 193450.0892 640438.7631 1575744.793 865256.4414 915056.5819 1766946.517 440132.5238 169781.1665 861380.0474 859154.0805 1023294.077 717702.3397 768854.4491 441256.9823 238436.6208 4,6-Heneicosanedione 5427248.946 4772221.338 6273519.969 88764.45502 158113.9811 710505.8745 5265532.497 5164414.93 2431309.245 1282224.742 236983.5455 163364.0475 3602934.144 6041925.664 5222310.206 714779.439 1128467.348 691493.0457 Amifloxacin 207267.4959 491631.9182 514844.5155 1294362.959 1138330.603 1169209.243 1687828.051 1060713.446 1153500.377 1068289.31 1198159.747 577810.2189 863668.3156 68675.77558 658711.0396 1078956.268 251887.5101 337595.4641 Glutamylaspartic acid 20516321.09 21548898.05 49466613.15 89502502.62 68735156.77 93586175.68 34570813.85 20841669.47 22359016.33 87205376.59 107966838.5 60214516.54 17859846.5 31081686.04 20501959.58 96666244.25 55925047.04 92266629.23 Benzofuran ketone 18555076.76 21726740.99 17426934.06 1288974.658 1174179.266 1367164.849 18341558.32 20666499.63 22245121.88 1587327.486 1632383.384 1238390.129 17586867.86 27478549.3 15775968.06 190431.5313 1291313.423 1685460.776 5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid 1431204.136 1042153.518 1454267.265 1754626.011 1759692.597 1951670.847 1688422.136 1713791.034 1858911.128 1563144.456 1659146.257 1560001.911 1552516.294 1665313.383 1387185.464 1683174.704 1692628.794 1530181.398 2,6-Dimethylbenzenethiol 149595994.5 126618585.4 140520415.4 83127203.86 49418944.84 62244643.99 156458379.2 141649367.4 151444194.7 59798994.45 23656168.11 68898510.79 150398001.8 159173739.8 175293571.8 36381090.68 71919243.87 39741488.76 Descyclopropyl Abacavir 5285146.08 1838583.934 3641429.347 9457367.562 14437244.83 15251364.26 5897678.057 3652449.973 2867761.52 10694031.95 3185334.015 9131664.77 3129595.555 2153444.869 4519889.338 10097256.47 18767747.58 18393885.24 N-Acetylkynurenine 20679471.2 16603718.38 27769224.37 2633016.503 2211128.068 998064.2964 14872730.54 22635662.78 16525763.49 2773316.502 2656276.746 1570127.14 11487200.92 12077335.35 22255064.33 1466763.281 1033525.874 981524.2755 N-(1-Deoxy-1-fructosyl)alanine 5750938.508 4937503.074 4807677.755 6308571.219 4595342.231 6361281.684 7054213.871 6489625.195 9074538.315 5149497.402 6431003.504 6672427.331 6411029.33 8206947.443 7403203.038 5549083.616 6835052.222 4595840.263 N1,N8-Diacetylspermidine 26726980.44 42370477.3 23809428.38 73553742.29 81233302.15 159098589.2 31020857.86 30319819.72 39884432.7 82285581.13 37817926.2 35486375.89 50904649.42 34603057.96 18400566.79 178989647.1 449068286.8 516193703.9 Ne,Ne dimethyllysine 2123531.544 1287426.957 1189048.128 162039.6826 463713.6087 587356.0945 2472203.579 696248.9607 1205706.546 500604.5401 1022068.565 535363.315 659125.0271 509571.192 1287087.409 323844.1365 218174.9396 307625.7871 3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid 3703245.087 10095875.28 15927760.59 14807985.31 5695048.14 3179940.592 4177727.628 11403585.7 16921982.55 11077891.92 7345633.4 4844699.432 2902723.89 20382917.37 16485374.7 12347540.38 3891633.839 6224410.241 Caffeic acid 4-O-glucuronide 15254413.16 9698455.561 12987723.65 3055531.781 1246791.38 469376.4869 10385678.8 12130995.73 14229388.45 674003.7296 1419469.457 1229416.241 22054142.9 17861607.54 14809813.67 1692311.338 3110914.652 4348222.707 Methionyl-Aspartate 3371042.503 8672054.75 4900958.852 2039318.423 2131622.335 1882364.065 3306242.62 3508425.093 3658521.316 2505782.401 3013952.179 1418945.569 5418936.56 3408718.698 2305809.838 1874453.538 1191924.967 2186341.509 Malonylglycine 10388330.95 9122968.985 18339043.51 1243595.882 1024066.654 1279223.756 8867272.532 14747028.74 19405853.23 1420985.482 134457.0576 276659.6205 10629662.12 5857115.464 8772599.655 67563.05214 1243244.875 1240642.165 Phenylalanyl-prolyl-arginine 1369413.105 387513.3843 1506035.881 5331411.273 5643445.523 7313194.575 294729.3762 1641015.663 812662.5872 7214404.853 4868515.428 6795687.16 1419513.49 2788393.795 1497652.38 8056333.428 5751986.321 5584258.916 Avocadyne 2-acetate 51216853.82 79102281.45 53645028.06 49251732.59 64680186.33 127529573.7 38786426.82 62524306.24 34905889.83 44547180.64 109985645.8 87257696.92 85341877.18 35787536.11 29966436.93 88152447.88 34688947.85 82501120.82 Alanylthreonine 25058222.4 29238654.04 23441880.57 29314015.18 17498009.19 36540611.95 18359528.95 18923082.97 28644263.79 17830511.83 24359963.59 33765979.27 17045474.92 24069959.94 15553716.63 17105085.35 15048528.43 15468693.19 1,2,8-Trihydroxy-3-methylanthraquinone 62518461.72 21981040.91 29796717.62 13927305.88 3640228.898 7301060.044 24093802.09 27431329.22 25537332.31 6566193.432 10458277.29 9715618.384 13341693.38 18066915.94 33375506.43 4695990.258 9988726.06 9939348.477 DG(5-iso PGF2VI/16:0/0:0) 383506083 216025411.3 407430836.1 237592723.5 378833013.2 276608064.7 350836572.7 558890766.4 215345378.3 282138254.6 568945968.2 352744213.9 273947582.7 314478519.6 220925429.3 376642256.1 305471226.1 468460945 Deoxycorticosterone sulfate 1769263.352 292021.2599 554188.7575 461461.0571 2568634.687 2452071.892 1649270.805 619930.3039 491624.738 1499044.874 1736905.279 2089570.67 303156.3517 132582.6925 493940.1494 2122084.196 3775221.378 2867306.617 Methyl 1-(2-propenylsulfinyl)propyl disulfide 1177471.4 1498620.428 1098037.659 80095.24238 63478.07444 505577.5041 419771.7183 1083778.873 1262392.111 570356.561 665060.2963 366740.5808 989600.8207 190623.2858 1013577.748 75957.54455 83485.97506 344247.3451 1,2,3-Triazine, 4-phenyl- 151144.3862 164788.2746 115832.4338 178762.9806 91553.2535 27855.82737 212377.7051 267680.8973 168756.3419 89013.89305 106314.1257 72237.24053 457964.8817 373830.1815 312423.6922 23449.86507 37404.7383 104913.6241 1-(2-Thienyl)-1-butanone 1186727.76 985217.8328 1011519.626 431520.261 219446.3923 369954.4187 1381054.41 1713643.143 1089791.56 51657.09906 344831.3679 326939.0639 1324049.898 1093064.658 584106.384 336636.1926 35701.66151 288076.462 Octacosanoylcarnitine 417857.4396 1080023.544 1101045.121 970387.8106 584381.788 402628.9058 978804.178 771239.7173 785607.4683 226572.9509 134836.7253 550967.8134 651526.8492 1126001.337 790746.5357 612545.4966 1122833.533 388322.8974 Glycine glutamate 8368598.455 11004953.41 15279839.63 28135913.74 38213428.82 42060167.49 14701356.21 6467303.116 9415336.191 30537449.1 39217008.91 22343175.82 7176360.092 13690712.58 9754623.011 32499648.83 27969465.67 28938349.31 Hexaethylene glycol 2166217.059 499437.0626 1495954.673 3115349.94 1895124.061 4044595.221 735609.4959 1120721.79 3145509.333 1892475.143 3696261.664 2765920.751 960306.3051 1178021.172 645251.1229 2678281.115 2436675.693 1089240.146 3-Fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile 1792976.013 1028544.031 2939799.323 20646538.12 7915618.45 2392053.051 828125.6992 1037101.561 1436767.139 7080964.069 10213254.7 28704147.49 160174.6381 781121.342 2128586.819 9297588.361 33495706.64 7932596.103 21-Fluoro-16-ethyl-19-norprogesterone 2013205.57 2002929.901 1316274.551 3502748.703 1414421.62 1894107.622 899246.1976 1577102.393 3210600.747 3183195.612 3555978.882 2730094.834 790081.1699 471793.1399 675060.2298 1126426.208 804678.674 321122.8372 3-(Hydroxymethyl)-5,5-diphenylimidazolidine-2,4-dione 6765690.183 9294781.308 6858736.584 340673.4331 159454.7993 616570.7158 11937337.18 7703149.733 9650604.694 678839.2573 362727.0753 332086.697 7347948.053 5601855.839 10184262.12 825095.5281 192963.3003 131752.9343 5-Acetylamino-6-formylamino-3-methyluracil 2138240.672 2352426.643 2072922.975 1256794.541 1237041.555 1428592.426 1602647.197 1858610.438 2201512.473 1201389.189 1249990.301 1245572.871 2219429.52 2224370.281 1618113.843 1341733.443 1298063.529 1059558.481 Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- 86222140.64 101532014.4 156818257.5 1652102.562 1270273.599 2361530.103 175474103.6 150603789.4 68023101.08 4089419.333 1896406.194 2016771.426 103157254.3 84026718.2 92942421.32 1295894.996 271426.8581 3283251.844 Ethyl 3-(methylthio)butanoate 3455758.857 3951278.101 4641833.893 2302890.504 1516717.784 2289403.33 3546593.083 3635418.301 2562528.682 1752983.667 3119492.583 1386020.862 3525708.716 4461031.049 3910565.66 2055128.681 1843635.434 1256975.826 Hydroxyprolyl-Asparagine 3694313.347 1977004.744 4500882.475 1016834.6 103113.1219 1199996.841 3555074.308 2986525.93 1687852.64 1388916.891 1166903.03 1161687.747 2648781.702 5043966.28 2309622.772 678420.8171 1188383.271 964617.7971 alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol 14288458.96 7923072.848 11771712.4 28996525.92 15475785.21 23705026.95 7333921.247 10279693.04 17633319.06 13239727.2 35534086.31 16767953.46 5045013.596 11323814.86 9211585.676 17698271.89 15845131.99 9112547.771 8-Chlorotheophylline 955556.9524 966444.8143 547498.5326 757491.589 736230.317 849679.5627 823489.0479 728502.022 1260402.724 893912.129 872622.4539 673502.2072 664341.746 529568.5904 722410.1708 843076.7375 731522.444 669574.7675 4,8-Dimethylquinoline 5420252.855 5344099.356 4632263.137 6169420.23 5447804.551 6026561.363 4925278.404 6888609.763 5921072.531 5540804.051 10039019.6 5108213.917 7915993.553 7389834.836 5401944.954 7628130.647 4756226.127 4626351.493 N2-Succinyl-L-ornithine 26726980.44 42370477.3 23809428.38 2045786.769 5565633.621 3587633.781 31020857.86 30319819.72 39884432.7 4590028.713 4274261.912 1560447.646 50904649.42 34603057.96 18400566.79 7077133.273 5122820.275 6615973.666 (+/-)-2-(1-Methylpropyl)-4,6-dinitrophenol 3003475.114 2229813.142 2893060.093 5407473.89 4897319.276 5720805.673 2420840.152 1504296.407 3189859.824 5280245.176 5546852.569 5434170.904 1024641.104 2413569.633 1160513.219 5009388.903 4065695.029 1855004.727 4-Morpholinopyridine 27969609.13 36831708.19 26252235.73 2522081.002 3446087.921 2394610.095 35701044.69 30371814.27 25063858.51 2862044.148 3364746.37 2005164.957 37808397.18 32973731.38 27061421.28 2757990.529 2728556.192 3697302.487 Hydroxysintaxanthin 5,6-epoxide 2976671.183 2785201.3 3885669.401 3425316.832 3737300.853 2281088.74 2096084.488 1093143.32 1063761.222 3355469.841 4262327.438 2529623.004 2473422.638 1714663.979 6094789.642 4235521.311 6990879.101 4610545.608 (S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside 7163200.333 6391505.348 12528743.91 372351.127 142707.4106 1268547.373 4279968.51 5545669.135 4400840.472 108509.3092 59404.25488 1030867.82 4861896.73 6474900.016 3338855.628 27770.55168 906882.2424 34928.82797 3-Oxotetradecanoic acid 3390567.894 1579139.654 569639.0571 1176272.94 804626.622 703726.7849 630060.9993 407286.3079 676294.2865 1120908.341 1236658.838 1098276.278 3496755.435 1626475.273 433105.3465 1110002.373 833668.876 1216773.926 3-Cyclohexyl-1-propylsulfonic acid 30675317.9 38089826.65 37994966.93 4518163.004 1818260.355 2968508.728 9162079.882 36373221 22416278.27 1820886.235 294224.5139 811009.0898 16477906.66 23433063.65 36618608.59 1294247.615 7498356.081 7398656.434 PA(16:1(9Z)/18:1(12Z)-2OH(9,10)) 59610347.22 25860007.73 55610443.96 50661865.41 76906727.68 44326130.12 37316508.69 36727064.96 26451899.91 39594080.49 60137772.76 56645221.42 29433462.94 40128903.03 49035881.05 50762512.74 81330932.96 88067676.85 Kaempferol 7-arabinoside 7754157.468 10925719.54 11665613.17 1358298.28 1213795.778 171077.7779 6442765.131 10501230.08 6428768.464 58802.50841 130845.0325 89812.7326 15956019.29 9211085.001 15849079.13 107638.2936 159696.2666 1223088.408 Nopalinic acid 1438332.543 2334425.458 1299736.55 1062988.394 197574.7558 1223510.126 1693853.943 1798857.947 2092197.949 190442.1931 2175286.046 500935.4726 2114606.146 2943717.619 705505.5461 1303337.728 717808.4765 999900.765 Uridine 2',3'-cyclic phosphate 20584031.37 17721340.3 20304962.83 16948646.99 15621312.67 15494771.22 25502916.34 17465295.76 20832261.73 15810780.7 21729392.83 18012276.9 18279289.34 24302273.72 24309294.58 9796614.418 15487853.88 17271836.42 MG(0:0/18:2(9Z,12Z)/0:0) 405434245.5 355340299.9 175914711.1 332664337.7 1201975390 3043362009 723251975.7 384970515.3 304926769.5 1109906207 418627245 1882371793 302284010.1 160923808.4 329003246.5 2050250096 822608836.7 1771721423 2-Fluoro-5-hydroxy-L-phenylalanine 5169184.971 4676897.104 4764862.189 5184537.871 4686418.914 5192357.423 3605668.468 3349269.911 4762478.618 5904300.787 7455279.057 4057868.607 2544719.591 4101324.979 3425600.197 4619745.238 3504539.89 4051515.21 (all-E)-1,7,9-Heptadecatriene-11,13,15-triyne 33972522.35 42205824.99 37681304.26 367055.0755 1778910.11 1827134.08 38412588.24 65030069.17 38060775.2 1691389.482 3863279.521 1727295.161 41623095.25 35961581.23 63246519.9 3102161.212 1583396.189 1994539.024 8-Oxoguanine 1117554.769 1424522.81 1345192.909 680479.3332 628595.932 821509.9257 1017331.437 1458904.3 1300261.882 611856.5849 694479.4021 756750.1814 1332605.949 1435435.721 1080819.12 835000.9184 760788.1422 657951.285 Glutamylarginine 5649096.256 4721466.947 4892426.568 4741579 3198893.537 5312247.824 3885895.308 2776724.458 4384746.279 4654061.854 6522855.252 5080826.496 3135610.26 3212201.255 1895652.83 3671238.753 3204295.471 2711018.989 DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/0:0) 444031083.3 347123963.7 359778849 448394677.2 531512570.5 264571208.3 461438256.3 331177216.5 493653152.6 503518640.9 357958231.3 388935284.5 199335813.2 256990634.9 415846919.4 401553304.2 146178703.1 377393111.7 1-Hexadecanethiol 116991035.3 115191124 104560196.2 121393246.1 106043463.6 125425554.1 112038011.1 105252723.4 123495277.5 100860903.1 113015536.5 95940212.38 96615622.75 114863062.6 103502134.8 119405237.8 118969753.5 103905239.5 2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 1548582.231 1564664.061 1309579.343 355744.212 326162.6877 392047.8544 1331269.471 1672689.431 1847271.823 340029.7922 1049349.742 319666.2755 751037.277 1693781.767 1679214.452 530633.1286 270492.5231 404318.3042 Starch acetate 64916844.77 38060267.93 63257297.23 6768563.527 8437705.37 3116626.931 42200299.63 45362927.39 53175708.01 5621907.162 4926210.282 4751680.995 45980609.16 85474805.22 51320205.23 7623414.636 12820540.63 12164753.5 Methylene diphosphate 1400530.476 1511286.929 1561964.185 148340.7461 351313.1692 291968.6169 1383255.32 1310706.862 1071348.504 372762.995 251165.608 224754.4773 931415.6409 971862.153 1051164.246 288696.8232 313048.5029 198142.7069 Allobarbital 5881369.401 5419059.095 6589941.205 2708149.759 2132944.487 2261180.641 7283310.974 6900849.985 5523704.036 3572011.438 3571367.216 2492393.738 4934809.193 6989056.477 5507682.839 4004468.289 2665070.336 2147556.817 Vanillic acid 4-beta-D-glucoside 3554952.108 5535167.332 3417966.163 782502.3163 1180230.19 1427180.727 3284082.342 3445277.608 3853382.992 1229880.053 760737.5533 1151227.225 5062485.526 3654197.426 3576040.664 1231700.476 4167769.641 1367734.527 1,11-Tridecadiene 3153839.616 4971640.805 3244204.011 5862353.745 9499951.512 7301702.554 2251802.813 6107623.123 2494781.346 8606773.006 4221555.418 3512252.454 6285205.757 5943509.505 4499456.618 5612956.296 4464846.704 9501118.663 DG(i-14:0/0:0/PGE2) 17865084.44 10953732.76 27753424.98 72097073.23 39813012.3 35462654.14 22382849.9 22946945.54 18093944.11 42175593.78 62907066.77 61939409.62 6564518.995 23738824.04 22338158.07 59540815.21 28878828.05 44861949.88 Tricin 7-[p-coumaroyl-(->2)-glucuronyl-(1->2)-glucuronide] 3632091.924 13272738.09 9871358.5 2681811.933 3522127.763 2461952.372 8572128.735 2824463.938 4155528.155 2994647.644 3628181.376 2033187.339 1191559.664 6134693.963 7873114.169 2665670.997 2885122.886 3842696.248 Ambrein 6324423.343 4649144.936 5043827.272 1377182.703 1706916.873 5902519.666 4954017.382 3656459.993 7021925.049 642856.3961 216224.1374 2189047.678 5329958.015 2856175.754 4994121.761 2501352.614 2184468.076 4240177.561 Lysyl-Gamma-glutamate 7398505.246 17202263.35 79232117.56 67585726.71 158093612.3 118127987.1 19081470.32 36188168 3910829.643 79448722.61 176962175.8 67978514.59 9931837.041 30261459.23 78507145.23 43760815.92 54307415.8 138342880.3 (+/-)-2-Methylthiazolidine 2359508.072 3104596.605 2008403.794 5839326.866 4880708.228 4971702.627 1819899.932 1225554.652 2443866.375 5303617.199 4697474.69 5138319.022 1609979.757 1308784.393 899798.3346 4400337.338 3231618.51 4950540.391 AS 1-5 11945307.28 34061706.34 25648079.27 22651428.76 11816503.74 15155390.86 17315365.25 36558705.71 32034224.97 18160585.61 14200174.34 24146749.96 19182772.11 31335426.06 30974528.45 14013319.13 20736114.85 16297190.68 Dithiobiuret 6314267.642 7049850.263 6302618.485 2594891.454 3023470.301 2883505.644 5040882.376 7621008.722 7157584.173 2803504.283 3281231.162 2698004.215 9096746.886 8401279.673 5603082.632 3986700.164 3899502.726 3091529.921 Spironolactone 6113202.954 12738118.35 6951146.611 6529671.477 8394133.327 9925701.737 4079499.066 12820330.33 5398489.665 11457822.88 20336398.21 232106.3786 22677678.23 13559401.65 4752144.249 13881526.77 10113332.05 5629663.197 Neryl propionate 3204499.827 2982356.439 3018029.338 1284119.515 3070425.74 3371476.857 2952210.698 2882221.263 3630164.332 2939666.201 2999081.313 2909174.724 1840687.533 1511227.311 2616702.061 269304.9302 3008990.099 1465410.707 Sakacin A 4404091.892 15589659.63 53115421.57 50570944.1 155934118.7 112119373.9 13581763.54 28903207.83 1888345.571 79379544.26 172805511.9 56326649.45 6190545.343 21288260.49 64811611.32 43928825.64 51308934.41 154506785.2 Cbhcy 12511728.66 11510865.08 15959643.17 2047694.494 1387360.658 2205102.877 5848438.776 12622597.56 8556113.276 1279789.487 1488719.036 1159291.481 8551710.518 15993852.89 9837501.808 1125897.324 1595318.267 1159190.591 Oroxylin A glucoronide 648234.8823 457939.6496 1018967.64 5110621.948 1028158.891 845165.5473 71555.17252 278965.4694 477720.3709 618880.8611 1547148.417 2092789.487 71494.30287 99400.43947 1130507.497 935713.2812 2838720.53 1841937.371 MG(0:0/22:0/0:0) 14373111.52 17061236.73 5653777.221 23694257.23 13557935.08 37045839.32 37433174.75 13929188.96 7391871.454 28820707.57 15038557.86 35838743.39 34680506.05 6139942.868 10348270.95 26570791.52 14662906.4 36203924.77 Methyl 1-(methylsulfinyl)propyl disulfide 1421277.628 1307450.198 1039803.188 623551.9839 928387.4958 809138.9794 1654266.05 1117883.828 1448711.128 912170.4909 1039276.005 847260.0561 1098565.739 1199747.294 1548256.655 856349.6575 1086494.448 1228388.709 1-(3-Aminopropyl)-2-pyrrolidone 23791326.22 21746526.1 19326024.41 18784319.75 18802828.53 21139889.57 14193464.62 12080599.76 18798606.52 22530334.47 24281749.23 17062300.78 12151090.4 19927401.91 9459866.095 14940368.77 10581123.33 15597114.75 PA(10:0/10:0(3-OH)) 1126634.17 281232.4189 121017.0377 1784983.237 2925153.069 2886865.783 676939.3945 120459.0979 290840.5827 2901362.25 3668711.157 3304927.858 702916.6143 121450.8211 905289.8482 2585579.716 5826297.524 8035280.448 PGP(15:0/14:0) 35576310 22805967.74 9363777.267 433612.3648 1010690.88 551246.7249 11021899.55 8156220.847 74086660.67 643902.4936 1951521.666 1468509.176 39346432.91 44904667.9 3985345.812 2256675.95 754253.5038 2071659.055 Ficiolide E 2693314.843 1810898.129 2200942.882 1796513.049 2659176.824 2927799.907 3180649.505 2236445.712 2569255.812 2054823.467 1927838.948 2010145.064 2502327.199 2131531.421 2402669.944 2473617.842 1871340.992 1942102.71 Cyclo(Ala-Ile) 19469826.89 19241804.1 16579216.83 16108143.08 12738966.53 16025880.64 11896730.76 13553564.28 31807045.86 18616239.94 19106459.62 15794566.91 12469937.81 13816664.29 8799611.481 14225376.51 9261574.856 12369401.47 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol 3685821.185 32065089.44 53281281.13 58394245.46 1115585.58 14194597.82 3107394.416 37573111.07 67626431.93 29886598.43 11565627.41 15018873.57 8158036.899 96983297.65 64449119.11 35270549.01 222575.7251 15314124.51 PA(i-19:0/12:0(3-OH)) 51679318.93 59763124.29 62110536.47 18931355.29 41847870.43 29199929.81 46772857.57 77805996.36 28481287.36 32281001.48 60009298.85 32214502.62 65408878.87 33320696.43 35402561.73 43114652.47 40573342.93 39410219.99 Asperitaconic acid B 1723980.176 1200635.508 2213823.509 2011852.141 2368465.852 2745286.602 1222155.736 2430684.061 2010546.839 2009700.389 2056438.336 2296202.57 2428051.466 2052979.717 1591278.028 2670676.031 1469897.547 592611.4471 N-(3-O-phospho-D-ribulosyl)-cadaverine 428250.8465 1808263.956 1673038.002 15411148.08 21705209.06 12030635.15 2788847.017 1775959.441 3582848.884 15600835.82 24936371.97 16278168.56 1294536.581 2044332.82 2632205.601 8332353.115 22600314.76 46489010.69 STIGMASTA-4,22-DIEN-3-ONE 53980679.42 77737118.61 1299954.599 562308.7514 1908709.826 91725424.62 205604565.5 43159119.07 5699763.884 725940.5898 31530376.99 87547302.59 28515163.79 65672859.12 175421918.5 89185.9888 35908849.54 109479158 ophiocordin 1119428.499 1414533.118 1627854.301 128955572.6 160635344.3 117252200.2 682481.3426 151716.1227 1091550.6 119050036.6 148866817.2 111088583 1610085.207 1204792.04 536586.2768 144350161.8 157354077.3 95173073.71 Gitoxin 1138747621 825966791.7 931350690.2 21929437.38 2216294.25 21891539.55 1398527446 986108157.8 1460110557 73450869.07 8249077.942 20105586.52 733365069.5 1212910647 1416321345 11583509.01 2956534.807 17061904.59 Celastrol 2769753.266 4186325.981 2184511.835 59073.58222 93381.28261 1170157.806 2644042.665 3869008.029 2583941.975 73655.68727 62393.3791 857755.2751 7268712.226 3328329.408 2351768.691 69856.60491 38117.62261 1024549.367 8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one 5730882.758 3588348.065 4716191.172 3052455.884 556808.0752 574473.5744 1349607.961 1648797.975 694338.4378 745608.5867 4324663.42 14781411.94 242660.5642 386753.1948 11484824.4 4092211.733 16674283.41 15523339.02 (9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acid 141037984.8 40945119.63 82920634.48 402441334.1 588986051.1 701122063.4 169336804.3 88967000.66 55017185.39 580208976.6 125321906.6 825056661.8 58736885.11 44329569.19 104844425.1 741911908.6 1088094342 842500302.6 (2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one 7559733.793 11404432.84 10377975.57 13145046.58 13145910.71 20560981.85 7125161.678 10674950.24 7222878.575 12475558.25 6026543.022 9173673.51 10573922.58 9909967.967 8743129.451 13385703.05 12638984.02 11687593.81 NEROL 81882502.49 88306668.35 63134695.23 65122228.63 57788737.5 81912926.09 87040495.27 70154166.13 92986220.93 72378327.7 58944758.34 59163828.87 78328466.03 77740266.49 69546888.72 75771539.05 66600205.67 48030952.2 PSEUDO-ANISATIN 2764546.292 1860345.042 1552789.506 188422.1349 208928.1664 542373.8867 534271.6051 230609.8966 173389.4014 996004.8414 844422.514 1034572.644 156367.8887 211524.9309 6329361.05 244949.1303 793961.4036 963756.2399 Lagochilin 83544137.55 60993463.25 70326659.76 60699901.84 63145874.91 105707741.5 97498279.37 108437742.7 64918809.3 119783898 55491417.75 58416082.43 71070146.16 91555351.79 75544669.43 62074867.64 52019102.37 91402405.52 Xanthopterin 789471.8529 871898.4185 799245.5036 427223.9552 388906.7161 378037.734 697057.9858 1017343.7 680350.637 427876.5914 511372.3417 363431.0359 912399.3148 849562.411 754584.0247 521358.5467 504822.6828 410776.2973 4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol 26726980.44 42370477.3 23809428.38 6653721.463 5853880.088 9734465.606 31020857.86 30319819.72 39884432.7 8272972.313 10073816.79 4552455.656 50904649.42 34603057.96 18400566.79 6779147.645 2996698.291 2839188.505 tetradec-5-ynoic acid 6070586.067 6205101.4 4897559.303 5777024.473 6989501.64 8752427.805 7931964.526 6365787.403 5604223.781 7948419.041 6834058.47 4182279.304 6088895.192 6147645.059 5635745.357 7284763.003 6672853.48 4677869.573 (Z)-2-octylpent-2-enedioic acid 9512870.033 16037550.93 12323361.72 9678503.039 6496126.652 8628361.48 13149689.14 16456272.1 13316595.52 10372321.27 2464207.623 1518404.485 18345020.42 14314736.05 15884145.87 6527222.555 5258781.912 4950349.389 Menthol 190718.1389 347922.2498 87693.28856 516126.6317 203528.8488 372530.7094 62591.60184 104363.8604 548235.4176 260024.9036 370238.8241 215662.7691 309861.0251 339020.6487 323989.8133 192365.3112 323315.2527 232628.8048 Emodin 139753.9877 281497.3666 107541.4627 112696.6628 414155.095 422639.1887 121312.1837 68824.8808 178745.416 147037.2964 339734.4722 110053.2203 188582.5684 211168.3862 570936.8167 127268.2583 50108.57265 223621.033 SINAPIC ACID METHYL ETHER 20742075.1 1225055.783 29392462.37 2099695.441 2165655.949 2519780.306 14788231.89 35250076.02 51142851.36 6653120.233 4350205.746 7331193.369 1087294.507 36504523.55 17722359.86 2997540.751 4183868.497 2450093.938 Methyl Orsellinate 6637505.84 4048609.364 5184532.081 6022767.609 387226.5964 16048436 4036368.238 6414277.791 3965378.732 5721009.425 10941892.86 5304243.214 4838597.866 4194371.669 2948141.665 14225975.56 6715411.706 4241665.215 (2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide 2463553.842 1413030.401 4084655.505 1396920.317 3377260.566 2367112.451 4529038.3 2054125.276 1863059.319 1004391.562 1059088.145 1118464.071 2646443.423 2896694.561 1043208.717 900438.9429 662450.1857 2711846.613 3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE delta-LACTONE 9817315.989 13728439.36 11186738.52 9151000.629 12403135.44 18545435.93 10278409.47 14289162.69 4565405.084 19404615.93 15754648.08 9887865.668 9767247.358 12046275.93 9864184.62 13446094.55 10801879.04 13583334.76 16-Heptadecyne-1,2,4-triol 14286253.02 19675300.02 12134778.83 2522081.002 3446087.921 2394610.095 18034236.56 18612673.08 19686973.15 2862044.148 3364746.37 2005164.957 28979903.19 21039582.14 16008736.54 2757990.529 2728556.192 3697302.487 Triacetin 83734388.65 78459770.76 84146815.1 31258623.25 55264754.4 63355418.2 61011342.23 52058253.38 118485527.3 49045568 43362821.5 21659675.91 57454683.79 63096159.38 68901865.83 61045511.26 64901071.94 30056299.79 Nonaethylene glycol 13209020.69 7439424.723 10812847.92 27778268.96 15519733.38 23824824.83 11275161.94 9010171.687 15902985.08 11907235.41 32136288.2 19835192.06 6090626.434 11652872.58 7110666.688 18615899.43 16743143.9 8775264.097 Decaethylene glycol 12939527.42 4527102.508 10097272.78 20382586.11 12831668 18450891.62 10158934.23 8177473.406 13726935.76 10030866.1 25071789.15 16254064.82 4772781.205 7500285.58 6991284.734 14457670.47 14047185.78 7713180.739 Triglyme 3759211.664 3767766.306 2872049.645 2146153.312 1755870.029 1564154.703 1881620.122 1534901.637 2709819.194 1998930.423 2376380.852 1542647.083 1905735.072 2712809.505 1281330.854 1167620.045 1610017.584 1347130.13 Harmol 838697.6818 489309.3991 1374941.341 1611943.316 1388823.201 4220690.099 1044667.166 1297761.118 541941.2047 1645518.697 3052331.159 2083940.926 1286739.45 1286352.417 541322.7273 2440536.545 1640985.9 1150742.3 N-Fructosyl tyrosine 3031522.678 1945333.335 2719327.721 709671.9125 278839.9211 405085.2163 3530702.047 3236012.452 2664174.217 720747.805 1040704.231 773495.6463 3638357.387 3120677.676 3695659.763 1040668.92 623298.643 1489244.792 Ormosanine 3694785.393 2426397.517 2512393.95 3328225.694 4133816.361 4496822.956 5225572.232 1245661.481 4557898.819 6905012.62 4771023.713 4637825.11 2104880.953 2919064.22 2582019.614 4536037.177 4708298.837 5719661.529 Erucifoline 157482.521 1808263.956 1673038.002 3467967.78 2072837.969 2990874.698 2788847.017 1775959.441 3582848.884 1714235.288 1156418.446 6973646.506 1294536.581 2044332.82 2632205.601 1155213.79 2360451.622 1979850.077 1,3-DIMETHYLURIC ACID 1091042.249 1260135.838 2356519.715 929263.3364 975518.6693 879429.2446 1268662.201 1369469.949 1077566.595 911142.7447 881036.1534 974430.9747 1646981.808 892383.1424 1697943.812 1049815.025 1024071.715 861097.5077 Ophthalmic acid 4658229.31 4042152.275 4709555.402 3274154.858 3578263.807 3845924.716 4456526.966 2912119.628 6263644.7 3215891.417 3670796.869 3958679.704 3047401.439 4308395.555 4245905.028 3046976.169 2887625.933 2322660.015 AICA-riboside 990521.6199 1169625.678 305306.287 11243508.15 11568963.59 5101629.2 1350622.629 1474555.567 60037.40909 7079161.706 17988753.06 6614282.543 1720462.27 105141.8777 113564.7637 9788710.426 17650759.08 33750938.6 Uric acid 6605787.831 6443608.72 6054137.506 3632334.272 4026168.275 3928739.373 5577036.791 5890613.62 6421093.219 4106651.101 4598470.704 3040355.273 5673227.044 5602191.851 4537856.16 5168595.118 4792184.416 3204167.494 S-succinylcysteine 1578513.155 1445435.049 1208422.04 4339288.594 2531499.497 2889467.952 2027086.303 1597363.228 960365.4549 2279957.093 5443149.838 3517774.963 2122463.305 2145443.103 1040750.859 5246396.213 4196422.851 3647211.48 2-(Propan-2-yl)-9H-thioxanthen-9-one 15376626.49 18076236.03 14282386.56 14220520.06 22880571.85 21506517.91 12667820.97 14635647.43 18917297.24 19180672.26 19824687.72 5930207.925 16071652.91 14077203.74 12232485.84 15749773.63 34189663.08 12845656.54 Azacyclotridecan-2-one 84154939.74 91273427.16 67491698.34 81282865.88 108051515.5 116805289.2 98099194.86 74311073.38 88916856.77 113969979.9 91223476.58 73039269.57 89703807.67 80424493.82 72547388.64 102183983 82731804.11 77560477.6 Buturon 17212783.94 17846488.06 17488381.15 18630162.84 23662563.54 19554311.3 15352930.77 15145018.79 17757230.32 11799323.29 14530885.38 13679807.65 12908031.63 14648113.13 9603810.903 14814802.33 14381215.54 13338275.99 Etofylline 2625879.525 2943041.698 2742750.793 1539351.747 1628358.341 1666230.864 2175743.587 2517868.11 2537638.94 1432785.558 1564666.812 1330256.697 2706574.629 2734219.031 1837548.073 1719447.935 1544742.535 1293126.617 Senecionine 954452.0235 1198804.281 1057120.258 5789017.929 8474593.757 17945266.7 144222.4736 1329866.187 1327455.761 8193230.784 1987045.316 11676896.95 1649739.293 1679826.537 1677300.491 8236484.794 4381840.926 3792152.527 O-Succinylhomoserine 7401139.266 12240319.08 6352488.449 6295338.869 5083645.748 5906360.35 16375917.17 7707644.524 18597758.25 9599048.684 7515291.518 14031118.34 7387001.258 19588876.58 13802239.21 7312429.199 14058406.33 8968970.08 Abietic acid 1497030.519 1811699.798 1548878.804 1976198.232 1844215.512 1648242.404 1593467.449 1548669.951 1939932.109 1756587.85 1743938.069 1815640.39 1550409.34 1553794.559 1672967.516 1809346.388 1791664.139 1725850.041 Rifabutin 34168008.88 29591741.46 31839884.35 1863257.031 1635754.812 632030.9336 36042946.31 21609953.53 29810772.46 1260348.526 1244050.039 1895709.875 29336358.67 23820075.02 33414279.82 2801809.504 2225426.826 1463844.057 Allantoic acid 2356721.963 2852442.003 2375387.901 1438481.167 1505022.896 1607983.478 1883904.187 2643216.177 2708405.016 1283638.894 1386083.377 1178013.775 2382688.275 2210487.809 1750859.361 1498486.526 1578957.804 1311695.38 5-beta-Androstane-3-alpha,17-beta-diol 9188064.673 7075314.168 8486534.752 16462300.78 18457636.26 16543462.89 9942996.549 6061584.013 3895991.433 16522778.99 15515912.84 16873900.13 5852588.476 6319967.489 6769117.089 18191862.49 14306635.25 32134569.6 Flucytosine 3846626.347 3730503.716 3658264.694 1754803.178 1828289.201 2233903.688 2904485.69 3947946.981 3371399.822 1785983.983 1700297.333 1616745.103 3724872.336 3734494.796 2831555.296 1963144.33 1894681.947 1669776.551 PHOSPHOCHOLINE 3288631.736 2752845.338 2199840.776 820956.9209 952562.1327 897163.5875 2698547.177 2608103.127 1856986.18 1372702.402 935208.4657 1569513.378 2402795.248 2331473.534 2288514.629 2271601.692 712826.4457 969059.5994 Methiocarb-sulfoxide 1485213.829 1110039.694 1539448.936 2136336.293 678289.9199 791647.0898 1266965.78 1269597.231 1151908.113 508795.3473 1718394.062 1157449.465 1016116.529 1253610.959 1526096.417 769997.6112 2054683.689 1915623.668 Norfloxacin 7538752.317 12146930.07 6664745.916 1302236.149 953269.9557 1165674.469 8964014.355 11457799.24 9942224.335 2459421.683 2071220.668 3799875.882 17678682.02 13449002.91 10017826.82 1665521.762 1180216.869 1132820.851 Planaic acid 9296965.583 4050934.134 4941267.102 2522081.002 3446087.921 2394610.095 8685295.713 4608541.633 7874286.345 2862044.148 3364746.37 2005164.957 5090364.046 10348295 4492182.232 2757990.529 2728556.192 3697302.487 Caperatic acid 74405213.27 97079530.61 70122811.42 261810557.5 698328003.2 570157246.6 141163330.2 160117667.5 53983638.67 664727037.8 912892713.7 62963876.05 186000998.4 127190041.3 188647427.1 641046740.1 623121431.3 666988348.6 Bourgeanic acid 50170676.97 63991101.23 37017988.01 2681811.933 3522127.763 2461952.372 66251392.37 31129650.13 69830569.21 2994647.644 3628181.376 2033187.339 58120269.47 57083971.99 8112764.041 2665670.997 2885122.886 3842696.248 2-Amino-5-chlorobenzoxazole 1595414.61 1710510.058 1429249.41 1030922.923 1047801.038 1010911.097 1505081.398 1751263.634 1510663.261 943007.7682 923574.3554 800204.0978 1967064.586 1799828.789 1302407.331 1128329.423 1094150.903 862978.0296 Makaluvamine A 6791623.707 13980201.38 6361175.97 1358298.28 650380.5153 1522666.305 7288995.285 16302994.13 288068.5713 410872.5609 1531075.626 1176319.217 18482145.75 9346076.965 8669922.88 1025066.189 935915.577 182494.8639 Digitoxin 1402619981 1551773466 1277965824 2957977.543 1215835.743 444281.4631 2623362483 1334469558 1669961884 6735935.633 2340200.439 282476.2322 2116394086 1758605909 1757980949 6381861.877 462795.4238 1401218.423 4-Acetamido-5-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentanoic acid 958667.1956 792415.6883 821376.177 1919620.369 1923911.137 2106284.803 488435.5138 1172592.687 983937.8159 1888384.745 3409424.531 1648649.324 1083103.119 900884.3118 879526.0382 1990675.085 2345123.576 3286654.034 Dinactin 3986208.218 3183349.238 4391184.943 402493.037 531776.537 770749.4575 6468808.063 2969653.213 2549449.108 2300113.291 1146926.751 1613162.878 5592689.87 2640767.547 2770885.545 200810.2296 766486.7152 916557.797 Nonactin 489608174 298031990 25040593.71 1358298.28 186043.9402 193244.8643 100424171.3 96920887.42 721531690.2 154304.4864 200231.396 1176319.217 467651966.7 339740072.9 20946703.44 1193269.261 935915.577 568231.8609 Blonanserin 62575496.44 28554849.38 34234585.9 184880778.1 174218108.8 171902118.9 42678571.33 61590537.64 29368467.7 217499716.8 108714040.7 353101261.5 43262264.72 43851149.88 54987673.09 218226719.5 296563488.8 223226561.4 Denticulatin B 27742373.45 10376323.16 16904740.71 45731142.85 73079912.8 23427321.91 20994496.74 7788483.328 19567113.72 19090859.36 12647124.3 23811817.37 4654593.407 10745412.62 9178563.886 24041606.99 41504298.39 78243538.84 Melamine 681278.7237 474982.1703 441825.0574 305168.2926 397342.4525 268340.2101 375160.6938 430550.3473 596960.8812 167319.6321 344827.4443 249733.0352 487633.758 565415.1798 163172.7154 170849.42 283656.4195 310922.6057 Irbesartan 648117.6676 1307890.158 1151981.696 296687.7162 55613.91068 94066.41241 1381787.757 1703327.62 1865142.658 926637.2259 259121.0871 343142.8041 1098581.559 431872.948 1990353.215 361048.1333 862669.1072 279760.1457 Methyl pheophorbide a 12266779052 14681175446 16783427218 82585329.05 28763545.9 20479276.95 14169478206 18198318115 17219988988 74302920.01 43907679.43 19268171.8 18170197958 19219131585 16562567448 89602306.75 30749896.17 21745456.72 minocycline 2411367.644 2205109.139 1571155.902 74297.24873 412024.6994 886249.1103 2277389.575 2408873.143 2212609.247 2230516.061 689033.3768 688454.1021 2341959.235 3393867.06 2034957.69 682027.9781 1748231.555 60826.36074 Asn-Leu-Leu-Ser 34611741.55 13393950.44 10330044.38 18987519.91 12621418.57 12664176.18 8911671.468 13847441.22 16069222.03 14854481.76 22398134.02 15038878.64 6550435.686 10757917.87 6581783.16 10469475.05 16097738.13 9579263.261 Plakorsin B 12598889.37 16905830.08 5434073.135 2522081.002 3446087.921 2394610.095 14444621.48 8815794.561 15467821.7 2862044.148 3364746.37 2005164.957 22109921.79 9570613.534 850577.369 2757990.529 2728556.192 3697302.487 Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside 845879.6309 1465450.693 244639.6439 5692018.757 6130272.79 4400260.271 1346027.625 1480870.014 934107.7267 5599175.986 7162404.407 5062323.591 2308069.126 2504935.132 1930398.4 8391725.221 8733068.074 7470456.371 Kaempferol 3-(6G-malonylneohesperidoside) 1221071244 2216226198 1734432793 10935814.04 2635668.196 741125.5286 1326187777 1577811404 1173233401 20112815.29 18069613.98 2023219.753 3129156591 1574764091 1734098401 19374811.92 3160760.334 7604674.357 5'-methoxyhydnocarpin-D 1233369.742 1360074.919 1705710.058 32396578.8 35102352.91 16814433.58 1461540.379 1197028.068 901458.9136 21973472.67 37776892.56 27964975.75 1527771.928 1175979.295 1605480.163 27720891.4 38344204.01 26359487.26 Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside 3532245.293 2713958.683 2992097.283 32215231.19 33355734.73 41616760.63 2916631.413 3672671.367 4596278.485 25550497.38 55515541.53 49253450.9 2602053.965 4623600.862 3820258.33 55904355.91 35297405.14 56108882.82 Ala-Leu-Val-Ser 42330769.55 25574075.72 34797576.24 31212182 33888988.16 40442684.5 17762725.51 16243392.59 38050288.94 25378663.74 44585416.56 30195379.27 12915293.05 29248416.91 17443672.9 25392859.99 23872702.62 41967056.45 9-(alpha-D-glucosyl)dihydrozeatin 4005128.937 2403273.031 3074192.063 3007216.499 2309329.552 2947872.237 3119329.533 2656970.065 1979597.218 2652369.17 4652891.755 2712906.916 2174249.507 3959430.443 3534631.578 2026755.176 1759909.745 1954578.234 Allopatuletin 5757512.977 2683916.406 2277870.501 3747162.832 1228253.61 1272084.948 6903330.245 740571.6487 893659.8029 1297858.451 3127512.331 1938339.127 119470.0256 456366.7098 925531.0575 1103602.453 2111727.973 1334542.845 N-Cyclohexanecarbonyltetradecylamine 4736682.376 3252502.745 2183841.262 4390777.339 5618835.466 5614610.574 3745823.228 1651115.175 3285085.448 4749292.76 5243657.749 4905361.668 1898451.455 3298994.398 2107518.275 3959681.276 4316718.615 6202811.078 Di-n-decyl phthalate 47419874.76 204635.0477 8795920.519 136326.1185 44347918.14 36213258.08 42888152.83 7816501.304 10185566 27143025.66 55575064.72 29668325.76 45437811.51 8415321.045 3437977.433 372278.6804 42071962.77 57411650.19 Asn Thr His 43442106.25 53657302.63 83468537.34 34040554.49 35207312.43 29686661.51 59192839.6 39037798.06 60115456.64 42043641.53 34837950.26 28379351.29 40870423.4 39527608.81 84079634.75 39511150.24 46730646.42 35566407.67 Achillamide 46115504.86 29130174.36 35978819.1 3362510.16 4615028.859 4693176.065 34031152.03 41797215.42 47806180.04 4497873.383 7291991.339 4586512.647 40706347.52 44798833.64 34229945.99 6003283.779 4553543.139 4678098.942 Brachystemidine B 15510382.68 9439529.62 13771911.4 1727441.31 3827648.501 4779525.119 13041571.99 15116849.34 17059408.59 3781475.92 9363318.758 2527673.643 17315730.9 17318578.56 9799430.111 5536177.062 3267655.949 2915921.047 Pseudoprotodioscin 21687224.86 33079246.25 23344295.13 14459163.13 15244866.5 20567663.22 27473901.77 24138322.61 26312889.27 13889916.69 13251234.84 20058792.8 33788772.58 28162016.07 19870970.2 17589499.89 8511288.864 15853580.37 N-Methylethanolamine phosphate 3613676.894 1880580.112 10845978.57 294419.0826 399986.2443 1265958.929 9282945.125 5615433.956 3385851.821 2628603.691 2088526.16 1620625.409 1942794.909 2618426.071 1409637.03 2810256.925 1346350.848 1630791.383 (3R)-6-Hydroxy-3-isopropenyl-heptanoate 2210519.638 1421149.888 994500.421 2217815.698 2233537.902 2289566.669 1291431.733 1892803.096 2136210.433 1881951.905 1581130.604 1865920.194 1759484.384 1256999.039 1066995.873 1189133.142 1194985.727 1320071.418 Achaetolide 4373872.297 2998854.121 1527983.691 7351105.137 9592736.074 6704336.522 3195898.37 3900335.144 2254411.687 7146531.576 870313.2501 10416534.03 2764303.921 779771.8513 3137590.129 10022885.38 6092301.604 11942664.06 19(E)-18-demethoxygardfloramine 8616583.514 3907231.761 4908740.702 11071840.95 4056886.617 1894136.097 11878299.45 15745806.65 5439240.047 5872211.209 2492491.321 3242343.992 19884685.32 9081488.049 20472258.29 1149362.631 6653132.029 4293337.921 Pteroside Q 47163172.6 41911128.48 37186111.03 11649618.32 11435932.82 19445282.86 38316223.81 40486233.4 47041990.84 15360268.14 29607500.67 8487358.008 44593175.11 40358960.27 36969540.36 16147863.51 31175063.11 23040948.01 Sagitol 10920519.67 10897017.22 11052302.31 3055752.239 1649107.786 1234176.405 8069049.514 7322813.771 12212534.6 2256733.076 1685886.789 3061771.737 10923455.13 14421350.82 14841415.16 2457467.529 3271614.575 1890628.546 Bakankoside 772116.4758 291043.1102 680707.9185 11693072.28 30090272.29 23155513.76 602353.6928 1409713.344 823253.8505 9321008.534 37262516.79 23600053.62 2318176.616 1076846.288 747066.9482 16221939.47 24980602.5 33574644.03 Pibocin B 11687863 12913821.39 19119597.88 682639.7008 1635028.604 2260360.997 14262237.3 13949080.41 20539792.73 2335744.903 1139695.703 2277040.183 30251180.04 22031050.3 15117144.59 3240228.614 2508584.395 1507036.067 N1-(2-Hydroxyethyl)flurazepam 2435864.688 1611198.17 2781317.213 1159794.544 1226268.505 1404006.515 2293133.712 2126629.649 3919663.801 1655074.189 1374505.253 1324364.416 1797839.347 2869768.926 2780046.826 1197075.422 1306889.622 1066131.255 Skimmin 64619117.72 131110362.1 108094977.8 1966927.883 684543.8971 915450.9182 104764038.2 139711799.4 84811811.57 1310886.241 2349922.696 2552440.098 220320801.6 188861884.8 134856955.3 1145504.404 1372966.819 1344957.391 Tazarotenic acid 4179283.896 2647684.071 5019060.457 1314135.813 70072.27337 223560.0933 1954132.028 6679355.879 4551048.333 1035597.14 1388672.921 175524.0249 3112777.105 4047621.93 3363130.691 67130.89712 142087.5226 64059.44189 trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid 4285008.958 3295334.167 4471228.216 2669229.066 2620779.036 3024859.405 3933168.149 4928363.442 4173475.604 2617095.264 2615008.002 2387853.448 5264398.414 5577593.353 4965640.717 3157423.921 3443999.309 2937080.351 Acetylagmatine 655034.8258 646567.7443 724996.6561 1152775.744 3377638.656 1141790.598 827820.1666 904603.0198 102090.7207 495995.242 8782740.117 3349783.68 1271403.797 1016626.447 739409.9866 4289794.315 3186779.24 2440421.071 1,8-Diazacyclotetradecane-2,9-dione 7591437.458 8873722.187 8070580.086 9339093.982 8290749.237 7767698.176 3542428.681 3151283.074 8894717.986 7638054.291 14186381.66 7421944.316 2860392.635 6264583.312 3345534.192 6676080.255 4410153.922 4799779.414 Prolyl-tyrosine 22482440.37 16699247.69 20136683.26 19250464.46 15567502.79 23835133.73 18298749.27 14265652.61 21502049.52 21158981.09 22772178.25 28183602.96 20455811.59 23173454.09 15917293.69 16594470.4 12960262.09 14221324.29 Asn-Tyr 1111920.666 1688813.944 1166771.75 1287021.948 813533.2361 1879919.153 1010817.339 438822.3786 1144894.789 733329.0736 895131.6198 1379956.049 832266.2392 793163.6891 196977.4807 914999.4579 1190264.647 915634.3881 Thr-Trp 8181967.645 8425305.788 5541007.298 7924575.634 9814195.181 10833181.1 4651644.21 3174029.72 6553546.944 9864162.298 13436710.68 10807277.71 4383044.573 4819921.086 2981492.196 6355309.372 5086207.831 8487476.432 gamma-Glutamyltyrosine 12857186.33 10106259.24 11154264.65 11854079.2 11677675.05 13630440.86 7694441.334 4746106.258 7638221.186 13135724.05 17968104.88 12149894.64 5043362.217 9062753.879 3874063.96 9851242.988 5223392.782 9384440.078 Clotrimazole 67971953.67 67557032.29 93771251.09 699429.9131 441678.8342 182740.5233 52249943.55 97375184.98 139322282.1 368890.7368 288928.495 297652.504 69143809.4 112753536.2 88023336.51 611731.7697 434287.039 253356.7072 Milbemectin 783626.4555 70977.67537 416312.0646 8307995.676 7009546.363 8402769.866 388148.0021 694606.2907 747036.0678 5787817.577 4803911.907 7290980.441 308833.0455 1751979.996 727322.1887 9196913.965 5519156.169 9616296.587 Lysidicichin 333691.4798 176082.558 199976.7944 6454685.763 3592177.501 1552925.143 243514.1561 488873.2234 638350.9295 2840937.108 5017202.522 3484707.689 499215.5233 520985.8081 552043.4488 996564.9836 4633272.098 2501704.684 Artonin P 2436675.634 1505322.717 1736691.771 164961359.2 33068854.88 18851128.76 1329350.187 1406762.369 218076.9874 18961275.3 119502288.1 8970414.363 1518524.802 1084366.574 637732.0124 21328499.43 147028967.2 177544908.6 4beta-Hydroxycholesterol 1239739.079 846283.3945 590231.8823 5653288.62 6680150.278 3897200.493 1499575.415 999861.4344 942621.8909 4892530.147 7043052.494 4626366.18 1271812.66 953751.1473 532322.5172 5171193.037 6431030.998 6094375.349 Dalspinin 11556109.41 13282897.97 12928903.71 1745217.616 2131372.495 3188042.278 8537222.422 10430314.83 12120125.83 6133830.618 5551941.221 4690940.779 10515651.58 11915629.2 14818495.85 11724633.33 18526128.52 5960201.21 (+)-Prosopinine 10561667.29 13170986.24 9119084.767 10191792.82 6592055.698 6466939.836 8163761.568 7342827.387 10038775.68 7200431.701 12768772.38 2177696.867 10634346.2 12408085.6 3418496.636 12414133.86 10479542.33 12384801.51 L-Pyrrolysine 2173302.132 1852845.319 1776879.634 738710.5052 904595.2042 675151.9391 1256873.115 1759560.643 1990466.176 800533.4012 919940.1109 734846.2985 1568568.082 1770091.389 1119159.008 794314.5944 385963.2035 474534.0579 Taumycin B 26726980.44 42370477.3 23809428.38 858913.2542 982772.7319 1359501.602 31020857.86 30319819.72 39884432.7 820196.6336 762580.1969 756358.6008 50904649.42 34603057.96 18400566.79 561328.6591 807276.2852 1041422.413 Methyl tumonoate A 1089098.11 1628924.643 3170832.048 9521168.778 8694410.622 10648189.9 3440645.829 5458418.018 1268943.024 23301254.36 15711377.31 5490383.235 1986385.792 1587216.48 1690095.542 8560445.521 9441686.349 5894234.901 Lanceolatin C 1614932.381 1132196.215 1012186.932 24408821.46 20820440.6 15586016.65 658369.2281 612154.6729 906360.965 15024458.87 25969703.58 16637181.98 128058.7472 687611.2004 1095465.336 27090562.57 29353339.9 25314529.06 1,6-Dimethoxypyrene 1634962.031 2670566.996 2103662.503 9376940.907 5566783.393 10217989.84 1932387.758 2233903.495 1925604.369 6386680.956 4922982.478 3076766.494 2646946.449 2332876.244 1849227.546 3592027.83 539003.0353 639243.5251 Radicamine A 2987910.239 3214998.292 4452253.951 49453383.32 3844849.781 9205708.728 2871922.158 7270550.299 5544899.999 9499598.133 9495982.554 29285976.68 3128085.434 5883441.639 5827273.693 4729966.385 8799084.699 7725410.325 Phellodendroside 6736283.142 5450583.903 7645881.035 3518794.318 4108809.712 3574804.846 6099391.125 4518363.713 4065115.858 1922858.235 4783605.835 4365559.244 6915938.15 8872896.896 6873540.683 2760753.274 3706100.782 3288607.805 Turraflorin G 828225.8112 303493.0851 3017178.015 1175081.239 412673.7984 832279.1011 1000440.883 2050730.576 1382181.698 745753.7253 453417.5371 397408.5625 656543.8911 1002103.685 4319417.083 1057499.497 5559622.371 7147328.562 Spicatolide A 5594979.162 2987628.756 5630411.397 411324.2533 921409.8339 1238014.074 4283739.565 3327517.678 2868026.411 419871.9967 453179.6303 174281.1443 3060675.434 8022910.284 4664610.121 898879.3042 644242.4205 665717.9923 agrocinopine B 3506662.237 5873507.822 4750698.59 5572903.361 1142877.935 638881.902 3114799.459 8076923.596 5792915.345 2369318.783 165321.0935 2926487.644 4648004.444 7095819.951 3824521.314 4005748.146 494647.5226 2532128.228 4-O-feruloyl-D-quinic acid 54855400.33 37366383.05 35660023.74 4647435.446 3693762.601 3596879.421 47045642.02 32129720.72 32925003.62 4168452.227 6591763.638 3689397.449 42047449.56 31638579.18 23621861.84 3141849.3 4080955.957 4183812.09 beta-L-Fucose 1-phosphate 4574106.557 2757485.836 3958303.981 3806272.109 3571793.161 4253456.64 2417513.147 3004387.459 3400587.03 4282560.191 5756224.917 4896589.25 1377486.179 2307481.678 2373543.643 5372906.035 5229489.583 4626610.657 1,3,5-Trihydroxyxanthone 683452.2774 512883.5205 592751.6669 1012970.859 436652.8961 396112.2982 96040.45363 947528.2637 75046.75669 469863.4182 1019279.926 498468.8633 82955.47937 497896.0689 876365.8926 715044.2398 681000.3928 469310.6662 Gelsemide 17706076.69 11003576.48 10437465.53 9259545.642 14532217.2 9830239.674 13998764.69 8574963.258 15902779.07 15158745.64 14933286.46 8454519.651 8333003.082 17521187.02 11019388.86 15758021.68 15699141.51 12224722.09 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate 50623932.88 47023945.94 56044200.33 16907867.24 21524157.87 22807325.28 27378148.13 48870141.11 37121640.78 16186112.56 25849859.16 14315812.55 35694485.33 65886046.27 51772151.75 22054260.24 18431150.54 21739040.93 Platycarpanetin 7-O-glucoside 23454336.63 3172169.969 7328951.529 72798472.41 26066689.33 12355510.07 12256891.72 4029458.77 12785593.01 17614564.1 43053555.39 35959163.27 2741720.077 5439471.323 23022420.57 28999662.14 75083753.01 36450143.45 3'-Hydroxy rocagloic acid 17418934.94 6808817.716 9643335.896 6554765.781 3791794.837 5889287.143 4645938.783 8516136.983 8942651.682 3625090.059 16294128.77 11678235.73 4920123.1 9845089.454 10332064.8 6355357.466 26863265.97 29778017.45 Rubinaphthin B 6996888.966 4481771.672 3791340.416 24605803.71 8904571.933 4439411.119 3824140.945 3716712.691 6953974.606 5907880.308 20063446.87 7168530.989 1248330.91 3852178.23 5547098.001 8963421.871 18928702.79 18236417.8 2,3,9-Trimethoxypterocarpan 11272813.9 4771242.122 20228432.43 1647555.555 1781111.228 322559.8546 8177632.709 10660869.97 5683719.722 368339.7681 793077.0322 2928202.751 3927180.619 6139918.056 33049368.19 2758006.302 24823067.66 21883290.42 Guavacoumaric acid 26726980.44 42370477.3 23809428.38 5488543.319 6971995.709 12715278.27 31020857.86 30319819.72 39884432.7 7438132.592 7093740.384 6275602.792 50904649.42 34603057.96 18400566.79 4597356.655 4323142.468 4058876.683 Indole-3-acetyl-beta-1-D-glucoside 11117218.41 7296610.904 6998155.681 193352.51 330086.208 131625.9535 6810630.391 9368633.107 6546619.748 112422.344 354453.1336 272339.0952 7446482.805 7714436.811 8434482.759 1025066.189 46195.63422 1223088.408 Allylestrenol 4555335.039 6275257.565 8498227.222 7233167.42 11051293.17 13081938.19 10476150.14 10824557.19 4760578.835 4536137.109 11829661.71 8587689.352 8365452.58 4838315.359 5102064.156 14489595.78 9430801.58 5857903.019 3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol 19967563.64 23125269.05 21531287.3 7573566.593 7962055.451 9217251.079 13472206.73 28935142.76 19707501.59 8049095.365 10270979.16 1029326.504 56004622.2 19453320.73 16181016.09 9004566.12 6174067.962 7078723.619 selenoneine 76555570.54 70252106.97 49795352.85 39198763.43 28783718.78 41199192.87 76122305.09 81582690.82 81784476.81 21501293.28 20289697.87 22994230.03 77723767.28 85524521.95 76171657.52 42488173.96 39364476.95 27258849.1 (+)-Butalactin 1339630.794 2052733.706 2189027.109 3152409.549 3039554.924 6029914.699 3477067.753 3989796.079 3223455.483 2068504.453 4124542.192 3092841.075 4348084.653 8372239.823 4227569.344 2648687.702 2093705.557 2273956.915 (2Z,4Z)-2-Hydroxyhexa-2,4-dienoate 57779457.66 41014187.69 84818688.13 50806193.56 32868272.89 41831775.83 86324959.25 53136821.7 69031311.22 37776155.12 41467887.88 52148263.4 59508651.07 62170366.07 68288726.46 31196392.75 48951687.06 40916057.69 11,15-Epoxy-3(20)-phytene-1,2-diol 11481689.23 6473831.453 12063093.14 11427589.85 16734133.6 6968071.921 9255048.453 8314078.804 10163578.45 8924804.522 10777333.68 7481013.278 5750692.715 7346530.909 13610495.96 10755390.97 8416959.286 7015237.906 9-phenanthryl hydrogen sulfate 7567837.462 11795770.18 6445849.89 4834561.259 4213283.082 5902754.035 6485056.602 13536206.02 11768450.95 2736643.179 6745474.94 2543922.493 15218498.11 6799577.387 11768058.31 10567391.53 7957482.512 7075732.046 Phomonitroester 3571339.717 3626508.77 4417323.153 8015069.608 7615583.316 4877009.003 3779574.353 5031265.981 4913747.974 6871649.738 16504656.24 10230463.59 4117864.759 4536086.626 4032895.607 14953196.51 6297430.448 6402997.452 Dendronobilin M 434977.4086 732615.0906 443677.9231 3814131.439 6117337.523 4495154.062 478015.2197 1133734.009 886683.8392 2677231.222 5326403.743 2752642.041 1380668.923 1023676.727 226023.6734 3511255.858 5112433.882 5700585.035 His Lys Leu 4178693.936 231976.9344 251829.1241 17296913.05 16563263.34 32299419.31 3122113.615 2180984.729 483457.1906 31156681.98 19004481.71 35450209.53 126447.2135 1572504.078 626368.4615 26381936.76 26835356.29 29050761.91 Fomlactone A 3235968.439 3531146.874 3076845.146 11988183.37 16614932.85 14939053.89 5557542.2 3312456.766 2426195.17 15713803.66 16168761.72 15295155.74 4370379.787 4401049.726 3051320.522 18844684.36 13705348.53 15875719.21 Huperzine W 15651625.57 12833249.6 16168523.37 2699657.516 3245904.396 3462485.818 13002173.61 9927398.382 12575937.68 1918509.574 1696030.641 1924548.579 9848874.338 23787847.11 12094864.69 2274370.849 3203032.967 2451774.942 (+)-Clavicoronic acid 9723317.572 2045596.014 7431676.223 6602658.139 3893605.454 4683314.039 7703776.057 6585240.027 9655778.472 4986676.45 6575461.599 4216510.198 7712502.955 10082673.58 9131961.717 5420056.781 8204064.759 6746179.19 Bengamide E 133847.0289 388531.2162 246847.4733 346776.4598 549064.5993 375486.2867 1737985.685 104147.7459 222648.9899 285873.8324 678502.9011 401805.1916 343911.4171 319951.8377 1181241.713 113010.7323 516875.6675 836476.9111 Erythroxyloside B 5407621.477 2818467.973 3944999.531 864443.6029 1063506.448 1498967.092 1841699.193 949808.7007 4648023.749 1457109.642 406876.0857 1112235.357 1527261.431 3622380.252 1902853.447 1279233.494 1917031.662 2128424.159 PIRFENIDONE 5154341.402 1128464.572 2945656.53 349484.4769 590088.4842 672238.8988 3862421.376 3582371.439 4015304.457 813393.5887 2208693.094 931138.5271 1990177.047 4319875.224 2198693.603 1019723.604 896662.1938 512362.2549 Volkenin 17945704.11 13658259.86 14587907.25 433659.4169 46703.92675 61104.10725 9091223.502 27530493.56 19607446.72 118078.439 1531075.626 202439.0635 12389467.06 11538592.37 14252843.11 165792.8941 203540.3796 1223088.408 Millettocalyxin A 4138321.604 3270379.985 2978302.064 2995148.013 1788690.551 1754416.013 1567314.319 3817101.676 2719808.62 1604527.846 3677014.04 1730653.363 2373266.931 2033345.996 2852220.916 1890881.105 2683773.495 1982134.899 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione 1250460.595 5753861.294 1828698.519 306957.3985 335098.9792 778480.1926 1058890.103 1270666.967 1656091.875 580817.2394 675826.6582 645296.7473 3391257.38 3442182.497 1466411.262 333393.8125 85260.23052 216558.6922 Stansioside 21400205.86 60856819.86 22059574.03 349268.1976 116541.3706 337228.3832 22452381.51 19661359.12 18948997.69 384884.1855 251095.5661 1701948.948 20448234.5 30949024.42 69452928.81 579012.1049 469408.9075 547348.7687 Neurodazine 1260118.197 761932.681 778362.4481 11529912.24 11794547.68 3107316.244 1865179.367 393548.2299 717858.6585 9184607.917 21585871.1 5948366.718 39144.60155 1572504.078 680408.6862 13558490.11 8959237.035 10143109.44 Physalin II 9662099.217 8328254.129 6381411.124 28576275.86 26863545.28 27786227.99 9962215.602 11568291.56 5258246.195 47114496.92 40137116.97 23253734.88 2569282.347 2387739.925 3228757.869 23617102.18 30889823.44 20917640.3 ent-Alpinnanin B 2193760.63 2402728.256 2616507.109 2827301.148 1896792.653 1379830.043 2818536.315 1554503.303 2688538.419 2103591.02 2527350.309 826130.8601 3265128.332 2298235.945 1864939.614 1482713.097 1535539.58 902226.9023 Physalin V 26726980.44 42370477.3 23809428.38 7968604.611 3835004.229 8809980.686 31020857.86 30319819.72 39884432.7 7620074.396 15012101.73 3535325.311 50904649.42 34603057.96 18400566.79 17247232.77 10864504.44 4005686.55 Thielavin B 23516575.33 20807446.43 14379941.76 175858373.3 162899500.6 203681261.6 31471049.53 18055763.96 14174494.51 207951466.4 206552375.4 52329490.18 3029272.649 3915064.745 9551124.169 129507233.9 182095511.1 99952950.78 Hyacinthacine C1 3694804.389 3455317.292 3911697.908 837705.1061 298771.3455 550402.4655 3346076.319 3812528.495 5373146.818 413943.57 1252815.221 1644552.585 4269139.889 3979195.666 3205574.306 724529.9772 1400855.836 278903.5073 N-decanoylglycine 4878814.968 4232259.897 6948679.288 5529290.08 2646057.69 4382794.506 3016790.379 15245582.3 4983204.364 2556302.127 6008225.587 4623179.409 6563369.435 5944397.838 5503319.992 3629045.426 5973889.051 6528180.469 Mimosamycin 7166547.351 3903723.127 8376093.479 17071858.96 2621895.263 3266840.807 508855.237 7943168.291 16044237.31 3298479.916 12508408.32 4512079.737 7733356.622 10975113.46 3805588.321 10253819.83 13669028.65 22433981.6 O-methylmalonylcarnitine 4712578.226 6106715.281 17406811.74 721573.4255 2134449.785 1639645.289 4602148.149 12790894.4 4431293.231 1885376.68 1261452.047 908486.188 2792343.705 4038948.271 11965669.94 1066382.105 533421.9968 753813.5706 Juvenile hormone III 21701546.96 5917189.796 10599254.99 16834624.26 14253365.88 28917953.57 12125681.08 10891670.85 7480112.225 21428898.59 16881693.01 1790619.273 6214373.923 7556024.287 10382149.4 31955692.54 19104890.44 19641974.32 Coumarleucasin 41024967.78 58829049.5 50325010.5 278941.7414 171758.4726 2258422.9 45930767.58 42282397.14 44658913.87 1793696.339 2809677.087 432961.002 47007020.3 57900337.69 53325431.05 6245044.411 601304.8171 1332165.286 Limazepine A 4602192.343 3475043.769 4197175.741 2509647.463 2433703.727 2879637.822 2501166.821 3802362.772 3898835.657 2054414.054 4492972.552 3522884.112 2676734.95 4080567.58 4075979.926 2250469.904 1393464.822 1777476.324 Leonurine 4397419.731 4218543.424 2498305.12 2732369.3 2697439.986 4980064.67 2655313.962 2340681.965 4212689.281 3397341.485 5692244.428 2573799.912 3448851.095 4311448.062 1356873.861 2302103.86 2487181.044 2979834.358 dopaol beta-D-glucoside 7501289.656 6706109.509 6629733.97 1358298.28 170076.3006 108652.039 3984235.105 6382439.785 5327303.718 173548.6944 1531075.626 1176319.217 6596824.999 7268506.929 3646346.332 90891.91325 313748.8743 113304.4469 Ungiminorine 1192902.477 138500.4505 1241045.718 3427128.409 2023978.204 6764757.221 1492828.372 1782624.805 396546.907 2509421.246 1943393.546 6581548.648 276626.1914 1572504.078 443807.5299 3130395.862 2193669.424 2355712.381 Hippeastidine 18214626.55 14086821.62 13378582.19 6501349.66 4909473.731 5607033.696 7574618.137 2210852.135 6895592.995 5978552.499 9333475.664 5986277.29 10178350 10661254.72 4704058.3 4216985.411 3528799.777 3787775.088 Salbostatin 7682562.634 6037783.92 6235260.167 78222.03911 172957.7666 198659.3615 6961695.837 11445559.16 8018958.419 349979.0761 307194.6451 44649.6005 21493221.97 10148631.24 6012484.26 180617.3035 54652.72253 46089.59388 Terezine B 14744130.02 9132417.086 10197464.51 535610.5815 113344.3374 804133.9532 16480409.37 21877040.81 13417339.66 688996.0672 1041503.893 530829.5652 8313401.127 8909652.458 13702960.92 704685.3862 656328.1173 780270.1292 5,5'-Dehydrodivanillate 937195.7672 1081270.374 1273956.391 71063634.63 75976846.58 36985399.67 899484.726 404162.5515 219826.6085 46341775.62 76847638.11 57658988.25 1691038.409 1499883.172 433740.1678 52974625.44 65081811.27 46542824.83 Nitrovin 6965368.565 5301314.927 9620268.46 1629874.58 419616.221 192230.5716 5378689.368 6014974.647 4695878.246 150734.0893 440005.8979 611453.3867 5266798.391 6886530.711 4775334.183 31890.67809 935915.577 135581.0639 Arg Phe Ala 116867784 112562798.9 113731687.9 43474197 56474802.94 72782491.87 131362730.4 107499986.8 129080644.5 63586714.95 64170474.05 44256012.94 148433012.8 104223867.7 75995070.5 58894488.94 46779211.06 57128806.32 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone 1030671.638 1517047.933 236104.4268 1219580.586 3340740.928 4027774.315 1691401.361 1211823.797 1398601.957 8042452.618 9594209.53 3782631.677 2068811.889 1802337.56 1192403.463 34566010.01 25478702.91 15900923.89 Ovalene 18949305.84 11544318.77 10292307.48 2522081.002 3446087.921 2394610.095 17244574.91 11119623.3 25748915.24 2862044.148 3364746.37 2005164.957 16410885.18 18415990.69 13037200.72 2757990.529 2728556.192 3697302.487 Tris(butoxyethyl)phosphate 257578.4257 136355.5057 353853.4808 7006831.659 11627740.32 11330332.54 568138.4028 1242209.777 240951.6458 6803231.948 5432861.442 6404208.292 127285.8093 123669.0503 1722313.194 7220075.542 6244999.777 11636288.96 Diacarnoxide C 6165678.779 5143373.044 4011642.792 4492472.356 3536122.947 3658313.456 3390363.775 3409271.806 4569950.721 4103163.278 7347003.464 3478292.639 2728738.168 5276963.76 3554020.183 4142497.754 4281067.394 4440248.51 Reduced FMN 2639217.299 2571304.556 4296457.473 17152501.6 5920345.79 7103922.272 1913676.705 4352684.599 3920011.635 4377512.54 11680380.63 9366198.086 2067233.258 2631387.447 6244054.08 6144372.903 7900445.209 6764265.507 LysoPE(20:4) 999090.2793 300192.4536 95605.68968 48597.7571 473473.0928 279151.6395 1341417.661 311334.8383 453813.9985 830879.7582 420388.7795 443834.4223 311761.6787 631841.5951 130254.7975 497273.0752 320800.5181 63094.37469 2,3-dihydro-3beta-methoxy withaferin A 1313147.077 2771713.977 333822.3632 1239881.728 160807.4921 1347643.78 4880164.955 4416282.77 10721750.7 321504.8456 237375.2429 1353709.76 6490439.163 8245683.97 6778465.751 353924.9243 916362.1546 1125469.812 Sodwanone L 2574378.893 2035987.03 1510589.023 6777931.2 10979410.49 14226214.63 6959371.236 766726.7043 280148.4906 15008504.26 13324139.85 9104354.683 1947554.995 2100538.527 275214.8598 8968257.168 9744357.56 12311598.47 Acalyphin 339552.041 582754.2663 479844.6671 997352.0987 422818.6173 1629918.086 5160815.095 579075.3637 623402.1282 233616.6476 498077.6864 6593720.107 594835.5163 433076.2983 1209694.775 390908.5236 1148272.501 1043298.144 1-O-Galloyl-beta-D-glucose 2868063.28 2654547.093 851098.4786 12061929.25 4387764.434 2310416.758 2682404.619 2653043.745 2886871.04 2242451.354 3380973.943 2294048.062 1884761.959 4806562.357 4219028.045 2015835.098 3138768.427 1261030.632 Betulinan A 6705113.684 3939826.978 3933783.359 5536241.48 8885503.836 9645451.432 4470808.995 2855232.455 2052967.557 7605561.623 10438208.66 5262948.487 1528965.796 2301617.162 2229425.715 9455455.44 10165716.78 7850017.555 2'-Deoxymugineic acid 15177427.22 6197502.643 5413738.512 2353975.683 1544635.4 889094.3651 4983304.017 9607986.423 14529644.64 1416371.56 3170765.249 2708536.55 11880956.57 10732393.69 6881181.101 1909858.386 1623878.769 1591098.918 Delbine 3232707.39 3438250.113 2963958.735 3700051.016 3141759.802 3803047.564 2471882.092 2629784.035 3722532.59 3348698.883 5776224.884 2970584.165 1673816.281 2367769.128 2073728.674 3366757.357 2580341.867 2710792.307 3-Hydroxy-5-oxohexanoate 3680744.352 4259309.146 6280712.88 3691954.878 4580233.935 7531510.425 6465215.127 3827262.858 3823817.66 5505350.775 9755921.043 4069172.683 4469531.573 5036012.781 4949107.855 2470322.507 3225473.734 3475783.708 Chokol G 5395811.41 5851739.377 5303406.291 4417451.555 5465650.015 6240326.728 5267787.259 5023088.94 5437964.967 5192470.204 1719795.976 4947210.776 4854474.613 4513240.853 4467765.403 4493190.971 5384427.229 5143367.168 Eicosanedioic acid 34040979.43 30288138.82 25810658.1 7486349.125 7196371.189 10401506.39 23722214.58 22736458.24 34779830.08 8887294.458 7395784.857 9930720.121 40285260.85 49417192.8 21949766.82 9798075.405 9959412.093 7297141.239 H-TYR-GLN-OH 16678420.89 15994808.32 13701489.16 12053187.87 11728787.4 12639216.94 10208158.74 9411504.366 15136067.37 14834521.18 18205068.53 10643831.78 12396258.14 14839520.01 7254327.238 15190279.27 7683429.899 8772395.966 Kaempferol 3-(6''-malonylglucoside)-7-glucoside 11536777.68 13317958.1 16908384.75 7702388.62 1524290.689 167772.7849 8848524.291 11068800.41 6656258.033 1712051.453 2307500.669 2944958.667 3283933.167 7853382.272 23693738.25 88120.81566 5309385.262 2197419.242 Kadsuphilol L 20014526.45 27176090.78 15931392.95 2522081.002 3446087.921 2394610.095 20758504.81 30347523.12 25293976.94 2862044.148 3364746.37 2005164.957 18996452.85 17889391.86 31804191.32 2757990.529 2728556.192 3697302.487 Apiin 1098197.61 1385186.352 928986.7464 30224523.81 52350690.68 29558435.67 1214072.153 1692418.716 511580.1716 24861646.81 42632517.36 59259734.45 2006250.339 1550952.176 993715.581 29175701.66 41519380.23 28948232.29 Val Phe Phe 7023318.454 5146565.649 4546123.695 5159901.093 5087761.584 3127184.871 3108361.839 1431189.66 4720352.875 4519628.673 5120273.6 5463941.801 1945192.318 7828088.448 3479972.88 1963409.213 4576094.814 3984912.038 Naucleidinal 1802303.421 376560.9651 333738.7041 745787.2808 1705925.215 2239394.111 2200187.149 879690.0494 1133518.694 455887.5723 2123857.897 2396360.037 1172265.331 478707.8653 47921.15644 1146906.567 3682872.98 4777919.716 Lonchocarpene 8124381.939 7807685.683 12364756.6 1358298.28 119082.2082 1522666.305 7371825.45 16843201.53 9659641.174 24905.54646 141490.6386 54590.95106 12550088.58 14239947.23 11183330.24 1025066.189 78428.56343 86677.27907 Posoquenin 10795209.85 4070095.922 8357424.144 2632388.266 2904454.11 3013166.599 7134882.255 5631008.671 5493855.084 2754238.1 4078512.34 3143671.655 4998853.346 5508668.313 4872357.73 4170153.373 2665075.612 3328239.285 Abacavir 1261527.174 180056.7929 1447118.401 3027486.864 220886.3818 349465.4518 1416888.86 1235834.37 1016274.678 9185140.715 2576179.673 60603166.72 187072.0303 1590516.906 1799505.794 3096986.825 3475556.356 2189266.064 Isobiflorin 26162143.49 19477453.05 14150631.67 3381919.034 2212517.617 1950881.763 20534809.26 12860796.73 13020902.96 1990063.59 6330125.119 3849530.085 8644990.738 12023392.89 35337404.13 3700856.423 4310022.163 3588808 Sicanatriol 7beta,18-diacetate 7541272.392 20115378.34 13036879.11 10697456.54 2248823.612 777731.823 15472916.91 11460533.26 15955077.26 5349718.404 194453.1323 217856.3099 16617912.03 18506061.68 16389989.51 6914046.614 1595199.924 1247895.382 Cyrmenin A 4066389.483 4599502.502 4167774.169 2030839.212 3236145.626 2279930.774 3873124.148 4985189.734 4623573.496 1848780.311 3151119.044 73054.75904 6434244.816 5148629.86 3470412.674 2060200.134 1700218.862 2439805.217 beta-TOXICAROL 3372396.305 4368231.808 8340465.581 43949899.84 25783027.84 19059683.12 3697886.119 2405663.649 11843160.2 29480116.67 35439447.54 14684797.96 2823470.397 3658197.106 3477572.885 22916502.35 43432722.3 32542452.23 Sinulaflexiolide C 8412165.987 7261307.749 11226076.63 8891555.063 16602802.65 4334969.812 16960656.26 12521708.43 2119207.286 11005018.95 14079329.31 9266849.529 18648112.57 10089686.44 8707435.247 9286908.173 14680580.15 19360930.54 19-Demethylreblastatin 3559665.247 3362250.525 2801944.807 1337082.123 929274.8827 1402815.377 1773475.204 3643299.946 3047340.173 713561.5961 1272225.901 103970.3298 5840751.008 4033460.467 1280383.117 63960.02213 83172.76779 938280.0026 Gigasol 1763225.565 1460425.722 1699297.056 1137951.71 1034387.752 1474110.558 2797208.442 935862.0113 2959313.607 1028497.153 1504800.198 808110.2633 3593095.482 2395405.027 1585778.942 871813.8773 982097.0809 64335.07403 Aurin 5079757.868 4963395.564 3555798.539 470068.0385 279471.7342 254926.6457 485767.7428 1632536.587 734865.7875 248574.3802 799566.1148 1070986.83 664311.0754 805161.4356 3063523.399 944728.6832 3161916.343 1041947.915 Asp-Val-Val-Val 44029699.68 40690737.93 43832382.7 62293865.86 30256440.76 29813043.34 20021881.52 23328355.52 53322541.01 40766778.44 80918986.4 30567401.79 22334572.8 37989177.41 25600028.6 30018767.8 31774679.43 28978219.75 Glu-Leu-Phe-Ala 16261857.84 13331443.47 13449351.77 6585004.587 2172980.9 4434604.178 8746791.479 9987387.743 18146396.99 2875615.213 1537094.861 3719124.071 16114422.5 17138218.22 9051961.487 1794500.769 3074168.398 2521671.338 Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside) 149074264.6 192299693.6 173242048.9 1311577.116 1448384.808 1618071.938 177938728.5 163880287.3 195587297 202600.0131 1338057.665 1360375.273 214618964.7 206876976.5 139217391.9 2024268.887 1134486.973 1573544.681 Bouchardatine 355786.4598 281515.481 1036594.551 3971594.527 1299368.778 7988524.547 143672.0616 39837.37923 3755202.901 1069712.637 2387273.734 14824761.43 51698.5306 571910.899 382634.9052 1645698.715 890946.0386 745857.8564 Dihydrocitrinone 2023764.334 1320098.842 2324181.578 23192658.15 13479311.86 14458226.35 2511457.44 3462205.013 1150361.837 12144972.84 21027057.59 7848266.417 1695188.56 2063463.638 2070551.967 12893300.98 9365262.805 10465549.52 Crispine A 1140420.672 310111.9637 1012863.578 409724.9215 332204.4717 254676.4976 638305.2821 1082335.366 681794.5865 333652.9394 337839.2991 495847.832 798172.0517 722537.8603 1844048.823 126802.9205 70856.54518 46280.19352 Amphorogynine D 10839805 11083117.37 18555568 20599131.87 20374795.16 19930162.3 13509691.44 11957212.7 31494719.35 23092232.85 28372819.59 26269455.4 11856313.92 10414812.48 11283142.09 28585726.47 23377400.86 31119634.75 ACENAPHTHYLENE 12541953.15 16005115.91 31981590.15 3690639.29 2936983.491 3364020.121 15471469.17 30614356.77 16059381.32 4068839.733 4043704.391 3173701.969 23984900.72 15979569.9 28745362.79 5126061.475 4787864.845 3973974.916 Bisdemethoxycurcumin 35631863.58 19243183.74 18108364.09 12429651.05 21980458.55 19174339.62 19530990.48 16619673.94 16870212.83 16738005.48 20051681.83 12491666.37 11664707.04 16530936.47 15633653.74 16877413.38 31591554.49 15389486.21 Hydroxymatairesinol 5793035.534 3813400.922 4242923.02 6413258.029 10333322.33 7688094.587 3722326.527 2482707.314 3181457.03 6009015.338 8605346.425 18125159.15 3539051.215 3611822.827 2952135.883 7842561.927 8678833.381 7069309.21 Asp Glu Arg 1724445.289 2299929.025 469845.6608 2726560.81 1380758.439 2825023.113 1167631.843 3613180.535 218457.8241 937567.8174 1515482.5 1788173.279 2112097.516 1491613.007 1774836.309 1346248.816 1648504.476 1661132.659 Cratoxyarborequinone A 5475806.97 8904682.672 13794394.26 2522081.002 3446087.921 2394610.095 6053362.363 11332200.78 7642045.884 2862044.148 3364746.37 2005164.957 9316366.271 6695515.017 8907545.125 2757990.529 2728556.192 3697302.487 Ethyl 3-(methylthio)propionate 13651334.72 18290104.64 17855257.1 675419.692 584195.2093 357655.1937 13851418.84 16494155.39 13634592.66 738464.4159 497871.4773 717865.8143 22744120.04 12627041.84 12230974.38 225618.2339 155457.5206 752345.1771 Leucocyanidin 4'-methylether 3-O-beta-D-galactopyranoside 96912741.9 57028838.14 79485122.04 6913963.234 7054166.638 3104410.097 74915119.55 65993778.89 72695524.14 4605645.866 4206678.933 11780459 78814925.34 111638157.8 105713079.6 3021286.023 6268644.026 5307614.347 Pharacine 533446.5171 425073.0771 1547848.124 1973029.449 2155697.136 2508765.983 862866.6852 352575.3899 1012529.207 2006857.533 2641047.564 1571483.102 1523531.406 1224345.038 582817.7563 2192209.174 3025032.519 3298896.671 (3S,4R)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane 14213146.96 8608739.244 12554697.83 25971895.85 16731716.9 14223274.91 13466038.48 10352554.12 11475943.76 19887670.37 25656614.14 11918032.23 8275680.012 9847490.177 11246863.14 19286796.31 25599633.96 26833509.77 Sinapic acid ethyl ester 757557.4752 101572.8514 642924.3596 26947856.3 16735674.53 22785658.05 755080.4911 307436.2733 968682.0532 17263417.09 43156655.92 22013748.6 922264.3575 1455296.586 197700.2769 21758087.56 24532407.12 20576190.24 (2E)-hexenedioylcarnitine 5181145.491 4782225.815 8908486.026 4375318.581 4420233.351 4297078.526 2823856.482 6994534.515 4241235.347 3123086.32 6431883.447 4074454.166 4729756.082 4423560.483 4168296.63 2527164.707 2827034.64 1273854.014 Arg Val Phe 5659621.329 5197948.223 4706004.193 7765847.723 5144480.065 4194732.916 3748903.977 2606592.679 5454554.05 5625151.639 7400908.973 5730342.229 2716858.093 3788862.88 2527323.148 4441235.142 3970571.762 4849678.051 Tetracentronside A 10991416.79 4743474.9 4930236.85 18591936.81 2427448.016 1897774.573 3255672.197 5168234.797 3689062.367 2374037.749 9059478.032 2954120.901 9606189.535 22400778.23 3674642.816 11150182.77 20459661.61 36562220 Sulfamethazine 2990984.53 1312133.622 1545759.383 7600077.224 7292457.836 6829308.894 3954512.644 1695984.496 1284401.034 10094999.4 8968708.975 7771887.598 1583942.418 1204560.203 1996260.759 11055306.02 8517382.32 11594512.34 Malachite green 534813.7811 545855.8877 492423.5994 113837.0295 490725.7899 804927.7423 628780.9302 689398.4167 747802.4606 224137.0556 428828.6067 335920.3355 251812.9695 561455.2055 659054.8294 442544.3723 117346.7233 218888.0122 isovitexin 7-O-[isoferuloyl]-glucoside 1016322704 1116622578 985490985 6341188.577 264093.5442 6645683.111 1042032173 1041283182 1301665654 4928483.536 691088.2152 3640168.5 1769509172 1474359993 971457620.6 7856428.986 758185.7552 195965.2475 Leu Lys Phe 22721441.35 18520289.18 18947377.25 13665740.61 7122681.718 6518188.876 10998607.76 10069551.6 21856123.19 6594696.947 15200726.65 8251671.874 11139306.92 16298356.78 11864867.68 5454430.927 5209362.043 6073777.146 Ervahanine A 67557340.06 55687532.38 44635225.49 2463770.891 2127106.807 1457552.262 143351701.7 116457096.7 71051004.94 1901330.161 2905112.071 1878166.698 165698969.8 68096318.67 20038017.63 2011883.853 4080267.842 5681190.422 1,4-Dimethylphenanthrene 11668007.94 13164548.03 12930376.33 431350.9435 1999149.528 234768.905 14092418.46 12744671.01 21553527.74 256195.5419 1531075.626 1176319.217 14409859.55 22805317.55 12917164.89 1025066.189 194416.2835 278449.3892 (-)-2,3-Dihydrocitromycin 5500007.709 3564968.241 3717516.209 13529280.04 5726528.622 3287192.462 5988239.735 3435062.864 6291148.825 4397550.459 8311644.672 4206688.14 2721483.771 3624235.107 4221345.971 4604043.977 5656039.541 5336763.831 Ficuseptamine A 2208688.342 2079704.595 2217968.81 3657401.583 1817722.018 2809936.975 1451833.27 2992841.931 1430970.231 1092212.785 2060985.289 1657849.04 2146134.254 2550437.54 2178678.008 388901.7985 2104078.518 2412859.831 N-Benzoyl-D-arginine 1366115.596 1610502.096 1562520.261 4349620.778 4468677.566 5377008.093 1584311.258 126667.2123 1827580.379 3245524.168 2204102.076 2906571.021 2180733.011 2055879.34 1625544.994 2924105.219 3380835.352 4554340.758 Stemofuran K 219323.5817 1808263.956 1673038.002 9175602.989 33234209.24 21194884.2 2788847.017 1775959.441 3582848.884 19982939.57 3501922.184 5717091.497 1294536.581 2044332.82 2632205.601 9648623.255 7096600.487 10379378.13 Bisphenol A bis(2-hydroxyethyl)ether 1884571.281 360957.3432 1513735.879 5679528.815 5281447.05 9721997.435 2721653.145 1014883.352 799849.748 6670086.399 3573526.174 16685504.66 475137.7286 969451.2962 991313.815 9979306.138 11663595.82 12866063.83 Ginkgetin 32627489.27 16961686.15 6561028.942 7538686.889 5265894.344 7308284.431 8373313.255 3989423.161 2215570.754 6282103.266 14460555.83 2553728.639 192818513.8 1971516.14 27047193.68 8234333.598 2139616.692 2031605.367 Slaframine 2982648.56 2405193.121 2427179.648 1552996.802 1569287.35 1855098.681 1402267.339 1486948.795 2865705.023 2466349.509 2943996.079 2269769.383 1712358.063 3172684.687 474466.8447 1783328.045 1279523.952 663843.1883 trichagmalin C 6547511.299 19223696.43 15911984.86 2522081.002 3446087.921 2394610.095 24288798.64 20271571.83 24546060.86 2862044.148 3364746.37 2005164.957 35999595.03 20294625.72 28661280.68 2757990.529 2728556.192 3697302.487 Difloxacin 2562383.979 1793989.48 3910805.783 1433495.81 1137695.931 563636.5521 4423186.259 6769273.546 2702791.906 1115140.666 1044945.899 754424.0651 1939934.589 3260131.69 3679411.765 913406.2137 1392738.766 792361.6715 (E)-2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone 1576216.42 66712.33536 311480.5887 842283.2207 2423527.676 2711904.572 1521362.448 229383.8991 105729.17 1280610.221 2263957.436 2710948.164 685962.0112 661924.3624 79977.55048 726761.5542 2662004.865 3184243.431 Val Thr Gln 23693487.51 21397100.48 22993338.19 19820543.73 13560667.68 12455113.55 31305152.68 13854639 24005739.92 14586239.05 23962080.03 36411072.52 13666448.44 18483215.15 9690378.774 11338794.71 9273597.461 10833243.6 Glaucarubin 15148073.86 10148036.69 10350434.3 185091.3232 143755.4462 405186.4689 10233301.67 8475753.618 13009208.23 422813.8686 738709.2745 1176319.217 8509577.063 17175054.79 5943066.232 1049264.775 658676.5191 1223088.408 Circinamide 19282454.02 18889599.73 17530629.06 6418899.86 3066673.878 2518690.795 9368808.912 8739709.783 24910152.26 3319908.843 7987444.116 5003553.904 11684548.81 23817253.44 10961419.37 2483303.878 1799298.229 2517851.246 19-norcholesta-1,3,5(10)-trien-3-ol 7921419.525 5849357.904 6932008.197 1474684.692 2086189.757 1361946.466 6501433.611 5074550.38 6582434.502 2281411.347 1912446.261 1315306.352 4315909.219 6567346.51 6096209.145 1081524.731 1292668.405 1284378.875 Mitomycin A 4128128.093 9858768.127 9304111.35 3502124.88 4052007.208 5250219.585 6791599.165 7530874.778 5457700.432 3901318.522 4790992.546 4064218.368 10977751.22 9992402.392 5023437.45 4020196.775 2624536.583 3444918.956 1-Nitroaknadinine 5979756.265 3228676.945 6682322.681 2111328.32 322073.8049 459190.2058 4321659.911 7629476.372 3663042.941 1486162.243 5278213.95 451579.2284 3401464.448 4739544.257 4746817.832 672578.078 490936.7522 3787203.81 Deoxyloganin 2091356.516 1510616.183 1369277.603 556474.4379 209030.1953 507711.9227 1193119.732 1801568.986 2091971.258 340995.0273 1449609.617 1048210.081 3033834.303 2857749.401 1322468.418 1175866.558 806707.1107 615970.6891 Daldinone B 6078043.812 4336957.262 4771967.129 1358298.28 1213795.778 1522666.305 4765611.983 7482754.496 6435413.592 994931.5046 1531075.626 25593.66279 7888972.861 6860422.306 5429722.525 1025066.189 48796.21718 21976.51771 4,5-Dihydromelampodin B 14420143.4 9066558.935 8370314.399 8944786.859 4972944.477 10018025.29 7341221.028 16483610.47 16610835.08 4362937.749 12427310.71 16775042.72 8013799.115 16398770.24 8470306.232 6418196.572 8955736.137 6677530.355 (-)-Blestriarene C 4024549.866 2082802.745 4738654.69 10558925.46 4897920.977 4147279.982 1544913.334 3584563.017 1990215.258 2575493.824 6928696.654 5036503.864 2120730.08 1244400.935 5495921.438 2817950.304 9856239.313 4239034.791 Benzo[b]naphtho[2,1-d]thiophene 798094.6962 177253.2268 173225.5506 1623225.396 1611799.072 922361.2609 251248.7327 152143.9771 1125216.8 1512472.536 3033273.913 675416.3639 250331.5649 206622.0652 178861.4418 2221142.339 1246204.087 231824.7421 1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one 11239173.83 4791890.035 11791348.67 11494337.41 5521024.57 7965958.675 11044272.34 9702664.626 8002734.783 5439247.313 14681011.31 8428254.935 8371809.361 16481769.28 10488888.72 6465639.169 8648275.307 8098478.496 4,4'-Dimethylangelicin 6911281.332 10954077.29 12450002.43 20078878.94 9025884.153 7181384.906 9576931.014 11085393.14 11058239.3 9461068.569 25018293.19 11673217.65 8884488.523 9756904.425 15503900.57 10270323 24392953.24 12118041.67 Mompain 4882624.447 2571071.762 3342649.411 237088.9547 179587.2339 178717.8012 3407775.984 1889210.307 4157141.863 556622.1614 697925.3958 1412345.384 1819837.839 4393332.608 2042355.787 544313.9548 605170.3534 589940.4614 Galactitol 1-phosphate 50082500.95 35279583.38 43353239.35 769327.562 1688396.962 1149919.198 34465795.5 58377735.55 47397200.57 980320.1215 982860.529 1082990.806 51743244.72 49644383.23 30635996.08 1402443.132 1587985.454 1121789.453 Caerulomycin I 1606598.001 1376610.046 1877512.403 4367538.308 785993.9041 1314961.954 2330895.692 2951773.093 2375430.14 1545656.589 2871131.018 2254367.291 2883221.535 2819263.28 2326525.351 1012771.78 2820779.998 2010199.329 Eremofortin E 8994955.166 1179460.71 10869593.12 23328354.19 12021061.94 42613235.41 3054188.082 17497047.76 3808374.188 16528843.28 14994177.54 45157068.72 6292771.326 3503253.311 5001590.298 18791154.24 12977465.76 13677698.14 Lamiol 173044.5633 833975.9909 1664621.197 133946.6823 702575.5498 781497.0438 1470999.679 2328986.886 2318616.947 242256.0185 145473.0827 791767.6869 2215170.61 1243402.429 717027.8385 85705.46678 65473.35863 268950.9707 Limazepine D 17320351.14 12627905.52 13807130.62 1358298.28 85634.56924 67753.01628 13011109.21 22712632.62 22865024.23 52614.0328 73554.37455 58615.09922 12738516.84 23979139.18 16662364.14 59849.62426 935915.577 130722.8554 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone 1578999.168 3809513.353 1397496.949 2603097.428 1442903.754 1781247.992 647637.374 5902836.522 2406593.443 1239296.601 2707709.192 1645313.766 3016318.705 3612757.048 1626696.649 1303429.825 2176419.828 960173.7963 Vilmoridine 13626537.05 12173746.61 10141295.63 29446410.13 27221172.86 33010356.81 12370239.55 10919732.28 17806099 32863608.29 23306505.72 22025249.69 16183654.58 15380411.28 10132083.1 35114764.32 30438937.45 23727596.3 DTrE 4266715.556 4691417.885 3061455.161 2522081.002 3446087.921 2394610.095 8729855.752 5212132.919 3641124.031 2862044.148 3364746.37 2005164.957 8018001.758 3264079.724 415526.7764 2757990.529 2728556.192 3697302.487 Pregnan-21-al 5506976.177 7057074.853 4458825.776 4610908.54 11736900.62 14079668.67 10789657.51 3978245.073 6706053.534 13553820.04 5955514.069 13475044 15579742.5 6291583.991 7686663.265 14953901.26 8935125.592 6504236.684 Methyl [6]-paradol 14390949.12 15332136.21 10953768.49 13231908.12 22864735.5 19641480.28 15922392.67 11091380.89 13480439.9 13769858.67 14844775.75 13487064.9 16971091.16 11447157.7 10459949.21 7924791.194 11656283.98 19595652.8 Cer(d18:0/12:0) 47417366.57 66126604.41 62708665.89 65941392.39 51665631.71 47749372.13 66429311.97 51785997.84 60340884.09 40131112.54 51958883.22 73439675.29 60672138.06 58961368.81 36704144.07 64830419.86 68455583.45 70084465.2 Pentamidine 475495.7222 112521.8487 139608.3344 581736.0887 889211.7338 885308.4405 96238.39278 250204.169 363007.378 647169.1092 571401.1973 671964.5479 144055.6281 324742.9052 201301.2342 711024.4356 1191666.952 298356.9239 Asp His Phe 4019745.352 2861360.064 2696837.39 75283.92 71189.01608 1091808.034 3230424.194 5134922.461 3314959.303 71399.44136 74850.12499 1309301.382 8851900.196 5712820.385 5189591.741 838723.4273 789653.0991 927100.8245 Canagliflozin 12332117.11 10434500.29 14171054.33 3277138.843 952486.258 4071828.508 5709895.744 5587337.768 6723283.486 2461395.3 836661.3957 5441271.72 7431514.469 11660830.01 7394404.429 2549970.587 2585762.478 2233077.128 Armillane 1648355.606 1136636.623 2128219.575 3454091.225 3605688.573 7507117.662 2181240.612 2214520.559 1258573.568 4013623.974 6670256.977 5778311.247 2507873.793 572062.3407 886570.3584 5456143.701 2436931.249 3897104.758 2,6-dimethoxybenzoylsalicylhydrazide 67412940.84 45611049.16 49238008.69 538559.9147 1232394.315 511991.335 48537723.83 86236544.83 96380735.71 414031.406 279361.4544 2362286.068 60130301.09 58957178.29 63785703.6 166183.3151 128014.0175 112251.4412 6-Nonadecynoic acid 788313.1691 199182.8394 115611.7792 206718.7574 1741918.012 4756590.347 815024.7202 360712.5768 153872.5284 3088930.239 2608853.523 2365447.611 871672.8805 949748.9243 84911.41329 3856658.918 2894658.441 1870703.355 Plakinic acid F 16234291.85 10711654.5 15694757.95 6120659.785 6471770.224 8107110.615 17400910.05 11565919.41 13664990.87 7929244.652 5862151.431 5826549.376 5898117.171 11576050.86 14238328.67 5019098.59 5228481.523 7541798.421 Neoisoliquiritin 18198965.65 3513533.981 13166404.93 9822063.129 2656294.168 1841297.974 6954094.777 7791102.589 3551942.696 4107842.65 3673168.007 8063589.631 5294901.413 4966562.263 15932703.47 5645753.059 6678795.07 6794785.864 His His Lys 985397.9374 1420355.729 267104.4495 3030679.584 2974555.727 3128190.43 1646351.547 1053521.315 1302477.243 2484268.644 131528.7536 3316481.515 1917474.229 1672934.211 1162746.641 1591352.759 3279221.475 7276424.648 Leptofuranin D 285639.5542 301936.833 214859.7402 4104583.162 10784718.2 10721579.86 1573741.814 300040.9752 233867.33 16392576.05 8168561.177 77707.87219 1401883.515 669225.4781 207130.9196 8643581.532 11460340.52 8929470.155 2,2'-Dithiobis(pyridine N-oxide) 10341200.31 8525277.619 52844470.51 24706319.45 53497993.37 31588122.53 27810909.77 9242580.17 3169173.712 41801245.29 29121351.14 24914930.29 1695690.313 16731320.39 61660056.08 48612740.17 42663319.37 54155121.31 Phe Phe Lys 253741.1723 339537.7962 162304.3725 1004808.05 1158211.098 564828.6413 339672.0497 373690.9895 448598.1082 919960.5722 1960689.733 569609.5738 329363.136 290207.4193 116502.2409 651568.3882 388056.2125 1027353.588 Taraxacine B 2055178.62 1241946.091 2781149.803 2907952.689 1945392.77 3879891.582 1512580.358 3397116.024 2687123.819 2268217.499 5100743.136 3616449.838 1875512.67 2049561.373 1695135.484 4462009.112 2797187.575 3332995.003 Brachystemidine C 17807571.25 13847012.35 16770411.29 113021.0167 142902.8843 532938.4819 10748836.14 20819069.84 18692389.08 257360.7544 809667.2705 327399.1766 16458738.01 18318803.58 12253002.27 602391.4892 235469.7713 199306.7438 Ophiopogonanone D 32522248.78 21703886.41 22943387.51 31199497.95 28600286.02 24546207.28 16421438.21 24333018.8 37659058.64 20064607.11 45792009.71 22601350.91 23807566.34 20129003.69 17152501.58 28783733.8 45661742.81 34623103.87 RHODOTORULIC ACID 4235113.838 2868006.3 3338275.887 2820391.303 3236086.886 2925946.541 2277404.835 2400532.8 3473871.842 2514169.458 3396649.967 3461212.443 3230831.727 2894754.846 2420313.306 1733224.323 2038304.913 3562044.169 Leu Ala Lys 33379834.01 51238245.26 15509843.72 37805856.7 27037779.04 23489239.13 40768275.25 10848491.23 18836375.03 27745308.43 30987761.44 35481021.31 42085948.79 47945802.04 31670044.31 22991750.53 23556244.73 17048217.27 Peramivir 517760.0774 684824.1816 599785.5495 585713.7617 1127680.936 1339802.248 244257.0114 187548.1311 1055144.81 487338.4694 689254.6609 742599.1344 464018.5465 533371.9037 109897.3664 1002139.069 2236095.912 1770194.056 (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid 1912660.918 1687456.808 1579812.417 2306253.56 2222197.933 2712797.698 1475395.291 1024295.402 1921676.225 2432699.935 3261612.562 2353959.346 1763380.135 1080369.093 1211483.983 5203729.893 1255934.133 1559082.724 Chandrananimycin A 5741193.062 3134537.676 5783880.145 5164116.647 3595807.805 6466575.703 3197211.041 7408470.513 7202206.351 3968316.364 7509232.373 6266761.147 4644783.15 5396894.921 3778396.271 6786432.878 4689859.989 5610678.699 Abbeymycin 4228685.879 2746364.86 3174164.837 2621418.097 1916646.438 2255161.685 3611484.714 2190767.774 3285142.064 2103429.149 3298807.477 2037647.635 2077014.36 3591147.304 2618688.251 1526020.113 1489284.134 1486333.795 3-acetamino-6-isobutyl-2,5-dioxopiperazine 18626769.48 16214195.93 16340222.3 14119028.91 12334587.31 12737652.74 11318679.8 6199555.198 15639996.03 13939803.09 18485704.83 11046424.9 12930317.39 14264771.55 7852094.641 10623779.39 8289035.845 10419787.89 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol 2873474.643 3334787.018 3700233.84 1282776.256 1901286.788 1977055.78 4814235.535 2936216.228 2387617.458 3196381.337 2421791.304 1707351.186 2525981.088 2380993.69 3558188.941 1416504.57 1984588.853 2808971.751 Propanoylagmatine 494908.5577 296217.1089 477814.5994 46351335.92 81636179.09 97482750.59 425991.3448 427539.9707 533198.8179 72840636.1 109946326.3 23114270.1 395507.1197 534102.4907 446043.3533 66341571.05 64519009.17 88913650.31 Lys Val Phe 21664105.68 34890108.6 26187012.49 384787.1555 311168.261 126268.6308 10180484.17 12244138.54 23624135.88 347653.2059 442141.7001 207147.5705 21002055.02 25985345.14 5360675.123 236092.1837 91245.37276 240538.4345 Arg Ile Leu 1627802.695 1684816.842 2459813.906 2227737.483 1907941.444 3331675.962 849517.8073 2316886.314 1430599.982 2856979.819 3634652.64 2913778.803 2623896.642 696253.8839 1457730.166 2334989.278 1568404.126 1518038.548 Myxopyronin B 20368675.64 21299231.79 18772806.5 14626858.57 15197199.81 17559046.86 20234036.98 18066277.93 26184223 16672838.97 15277706.36 8515182.492 24994465.91 22194644.5 17766908.79 19126969.46 17698757.44 12613328.6 Astragaloside V 26726980.44 42370477.3 23809428.38 7220969.91 3595575.436 16849420.92 31020857.86 30319819.72 39884432.7 12691977.81 17618030 15361253.51 50904649.42 34603057.96 18400566.79 18448134.43 6718108.834 10083857.66 quadranoside IV 39537555.98 12109818.57 168855800.1 2212041.149 2221218.149 5500196.952 99701113.34 6902108.935 4035764.784 4008786.924 4977550.896 2116963.65 32626479.49 5237177.482 148642874.3 3441560.776 2245501.341 3959329.465 3-Chloro-L-tyrosine 978927.5137 838616.7929 884965.2021 588253.1874 532558.6252 614079.0561 945836.7126 1032323.523 818103.1078 442175.952 508328.5973 460785.9424 909987.8785 940717.9522 697268.0947 615090.7246 474949.9368 507250.0751 Riccionidin A 35661568.96 48052351.47 74632161.34 430584.3764 790130.7819 1593585.663 79116607.57 36337273.09 29876098.76 1661101.276 164667.4891 1289703.566 34317072.31 31425390.14 34572859.66 318177.985 648801.4739 1377859.639 Hapalindole G 759666.2089 134174.9275 696689.0539 3322022.914 3310882.172 2763478.451 140398.6734 185920.5712 758170.0345 2121636.727 4818193.788 3686388.948 1255612.447 835482.4785 131320.9951 3980756.879 4639747.436 4043849.873 8-O-Tigloyldiderroside 8914749.98 14710477.45 11786840.35 2522081.002 3446087.921 2394610.095 6962808.613 19693228.26 8088111.712 2862044.148 3364746.37 2005164.957 13228157.01 15585035.87 16012556.58 2757990.529 2728556.192 3697302.487 L-Metanephrine 25248061.13 36002706.92 33141290.91 1751007.766 2008321.182 1713846.565 21959531.52 52461026.78 30034918.72 1274000.468 1851129.204 1216865.475 21526221.15 19065945.26 26349438.02 1306272.43 1068983.642 1316464.312 N'-Nitrosoanatabine 1153397.626 1246087.98 1681728.514 1613097.547 991130.0426 1493495.734 1578481.478 4882735.313 1753571.537 931598.9782 1998409.698 1382782.666 2130215.774 1706231.987 2607475.053 738901.3669 1014431.069 170691.1019 3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone 8222649.366 6451478.788 8337901.703 2554040.682 627907.2862 1339170.484 6623414.65 9550626.434 6455275.948 1644783.469 4359031.067 1408381.935 9296852.776 8100246.882 8361107.981 10705138.65 6933071.96 3175679.972 Trp Met His 2331005.049 1823491.892 824424.7733 1606470.741 3613428.035 4530350.004 4073619.527 860019.7914 2508603.597 2494844.509 1587572.457 2663048.079 1454438.648 1453081.561 1969217.034 4457419.473 1993704.463 3573153.977 Tyr Phe Trp 7872950.716 2206665.138 4746727.28 8667060.666 13152534.66 16354833.27 9052105.12 3830661.548 1097431.048 14358897.92 16764845.51 5827596.986 3343476.447 373352.3148 1747601.985 9579045.233 8828140.754 4582195.393 L-2-aminodecanoate 2383125.686 3927568.902 2408832.933 473266.5119 90369.33645 303075.2269 3911092.337 5428349.304 1617473.848 1277391.94 285431.5827 1577550.379 4870630.746 1976669.616 2157889.796 142560.4336 1228400.953 843361.9616 Dinex 13061166.47 6304386.602 7145937.988 1605449.151 1697385.824 1623138.808 10637474.36 19274286.05 8180213.561 1498845.716 6255394.821 2339968.132 18708388.53 15884839.17 7359335.359 1664862.545 2223190.425 1697174.284 2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol 4412112.722 4917192.607 3647353.707 854227.4288 313837.3155 197800.2528 4461653.534 4960876.667 5864063.999 652620.6966 1623492.771 1103629.685 7169315.867 7539908.793 5099656.412 596600.5048 584242.725 1690211.362 Jayantinin 167067.2228 275552.8747 117697.856 2271479.928 2545985.219 1235394.266 602502.4917 436678.79 161276.128 1724284.666 2450062.589 1268290.819 431074.2552 593681.4117 327877.8815 2052871.604 2027737.841 2028212.832 Calyflorenone A 10243650.75 20197547.64 16361357.49 166420.8249 1269513.062 1443386.022 16214921.16 18840800.25 18088789.23 148963.6744 1696094.168 253003.9811 38241406.85 17147653.97 23620793.51 79050.55999 963979.9763 1752270.544 (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid 3023957.558 1348694.63 3590332.537 6106315.69 5009004.64 9612426.565 2355523.464 3416779.463 5544173.758 6403243.475 10039281.21 7176429.008 4351604.054 3328988.259 2796057.639 12642480.36 6924425.693 6296897.564 (-)-Stephabinamine 24620925.85 37247110.19 21567370.06 2734178.795 6518562.474 7085072.234 48292872.92 27931015.14 38057417.2 6930269.571 2684504.162 3808701.227 51208401.14 31330738.12 28942107.62 6902368.337 2052359.075 5190821.059 C-2 Ceramide 1086383.545 743875.7099 855014.9076 6788301.887 12246643.59 10947600.27 1319705.913 359965.2238 779244.3409 16339529.41 20214877.12 13664319.84 475708.3325 1188241.584 717150.7579 18486890.85 14514250.08 21911524.6 4-Nitrosobiphenyl 2632278.474 1679390.682 2975878.343 7084642.345 6153946.164 12128997.46 2014731.99 3940033.871 4787286.634 6776828.604 12583463.95 9586930.567 5349465.973 2630225.961 1672473.643 15877791.32 8233478.071 6875042.667 Piperphilippinin II 19048620.88 12040506.43 14629211.41 57947040.63 52059419.48 47958464.34 15443183.51 9607006.655 19663146.8 45305316.23 56426886.25 42711012.08 6919866.751 11022055.15 14238644.31 48293318.14 74077232.5 49448747.97 1-heptadecylglycerone 3-phosphate 12380233.59 7153739.017 12442716.59 149949.13 344928.9763 1522666.305 7971285.959 9494067.622 9200133.233 83645.43459 363770.9934 179019.9321 12311083.71 8847164.843 7351046.054 73746.84488 203588.2712 426571.5168 Microlepin 6010628.119 9267317.353 8892044.002 2236996.642 6386058.686 9666771.786 11424538.39 9849343.736 6150041.724 7205116.043 1236017.585 6018295.53 23317792.34 8754055.479 6509189.803 7883514.969 4277232.427 8694126.093 Nassauvirevolutin A 582898.544 435310.0244 229888.0025 359335.6221 913332.4447 1160620.395 297727.1948 193728.4781 412855.2834 1477138.576 739444.1494 649209.7226 751888.4757 325741.6204 515536.5289 790133.8655 203497.7091 477841.0565 N-Methyl-2-oxoglutaramate 5701889.404 5083993.942 6641203.129 33589714.29 46457786.31 38817234.69 7167051.404 7024898.591 5745428.446 43681940.22 79485917.83 51993502.03 7530067.522 8196021.315 6702494.926 68380244.73 35095017.61 41604719.33 Thymine dimer 655074.0198 629144.1935 674336.6488 336568.0281 382037.082 525907.7546 525081.9296 689720.7753 829136.7814 460298.5607 397619.1024 269305.6259 618433.2111 737249.0743 603711.2747 444795.5324 447041.1304 425147.5888 Dehydrorabelomycin 3519951.945 4425765.188 4515110.161 2288604.8 989112.9108 1303185.605 1294216.669 5010291.806 2945997.184 21300.34153 1982770.76 1490103.51 5425202.688 3323517.467 3264531.467 1371375.058 3426052.551 5686692.49 Ascorbigen A 2689565.089 1783679.742 1808420.689 68175.02515 368176.5957 625243.5102 2423686.931 3274522.221 3373655.441 558522.9021 276586.5885 175504.9141 2384729.615 3002187.851 2494414.035 123162.9437 249398.0827 61691.97054 Asp-Val 11963355.33 9623166.787 8362384.418 14301684.62 13821614.3 24422101.65 7476403.53 9179912.695 9109906.608 24561412.44 21952027.9 21113443.04 6878021.006 9772780.002 6494678.042 17556732.66 14819919.73 16756835.15 2,4-Bis(1-phenylethyl)phenol 2462166.667 2151277.209 1787585.643 2634404.287 2047346.62 1759263.181 1518918.466 805802.1841 1615761.383 2376188.812 2854458.051 2109502.676 999609.1439 1180411.485 490338.5176 1511973.023 1215946.652 1314811.242 Tyr Leu Val 8324436.949 7574089.171 6637172.406 7475041.766 3410901.578 3705948.838 3626664.398 3435589.21 9048844.262 3922042.096 8772823.711 3672721.021 4398825.283 6480926.351 3341188.779 3835001.259 1849587.946 3287235.784 Piscerythrinetin 16894225.04 10912751.84 7834790.353 14396371.07 11485433.72 7684882.061 13477806.07 8826390.136 10498745.22 14419578.22 13145924.07 12353002.94 8322822.455 8635518.819 8918030.983 14451520.64 22768970.05 15963350.31 Caffeic acid 3-glucoside 46951318.3 126977697.9 65164651.59 235662.5419 166806.2807 131475.4671 84076922.05 88238595.95 64969720.8 477446.2066 250928.0236 416004.6774 181642841 118975317.6 108010609.2 339084.6837 681500.8244 653538.4355 (+)-Sarodesmine 19397665.79 14107561.77 6565548.014 6923119.406 16594178.57 22338082.18 26179838.58 10824707.98 18104214.73 14150376.61 8985731.272 22156092.3 12016503.02 11926090.53 9615916.114 24451694.43 15131082.86 23376008.66 2,4-Dinitrophenylhydrazine 8406475.35 8827295.631 8338610.467 4844295.087 5072743.566 5866376.379 7586640.843 8785116.795 9034944.545 4926419.551 5281730.853 4802118.289 9342793.554 9484550.281 7315082.813 5985797.442 5858748.825 4821891.544 Phenylacetylglycine dimethylamide 8051673.029 4421894.923 3557539.036 5472533.929 3506661.754 3751477.78 4880819.383 1697583.22 4465371.435 4013535.412 5697165.29 3754660.452 2404936.369 3219706.548 2705469.419 2789874.084 2767280.717 2765642.943 2'-Deoxyinosine-5'-monophosphate 23692764.23 15762802.11 28744272.45 3812902.377 2262812.652 3126353.582 15637767.72 28286266.63 35987044.83 2242629.009 4315884.779 2767235.37 16609522.96 24992219.63 23377833.1 3064736.776 3513365.317 2252335.386 Pyriferine C 45754551.69 27688023 26686472.95 1704587.633 1048793.32 1303519.47 37358681.49 38692371.36 52024725.94 1864053.353 4220683.711 1636537.935 29192032.62 48994258.23 26157903.1 2045055.069 2168682.722 1895171.825 Glu Trp Val 4366812.16 5750440.765 5681644.835 83863.40426 216334.4413 261226.9756 3743928.422 5287363.986 6346580.798 167177.7113 67978.75649 157226.4549 10965994.16 9544925.417 5036436.445 148548.0805 177209.6998 109566.6375 Kaempferol 3-caffeylsophoroside 17060176.36 17270649.55 13688883.21 2522081.002 3446087.921 2394610.095 15758543.83 6329276.972 13537605.69 2862044.148 3364746.37 2005164.957 5119385.097 18345424.44 16149047.25 2757990.529 2728556.192 3697302.487 Terezine A 10349023.77 21598298.92 15576923.64 2522081.002 3446087.921 2394610.095 7468359.758 22185815.41 10686810.11 2862044.148 3364746.37 2005164.957 17002996.19 19157883.57 20924131.26 2757990.529 2728556.192 3697302.487 (R)-(Homo)2-citrate 1009066.756 1084381.205 989017.3781 491994.8449 669173.442 605707.476 621611.132 1062273.876 917433.9924 455762.7105 596427.1583 459089.9994 955024.4558 744011.0931 846080.9021 602665.6284 579583.195 540509.2469 Indospicine 3963012.653 2582602.172 4244552.497 1331273.387 985697.1866 1708717.916 3396960.898 3931668.068 4599505.434 2387135.513 2358498.668 1708132.28 4732373.697 6337635.734 3185130.831 924555.1381 923356.0031 1607619.171 H-MET-MET-OH 17458188.62 18913193.25 20011947.78 24779399.67 18062788.68 18606015.37 15959208.36 21838007.17 19139490.58 18676140.03 25897491.44 17599816.24 21308265.36 19689009 17749670.44 22796853.3 21401157.14 22729709.31 6-Tuliposide B 1147392.243 949789.3385 617565.827 1368577.028 1892992.914 2091147.495 1096817.168 1342464.312 1056712.342 1929008.673 2551399.84 2093974.95 912746.1265 787189.1222 981841.1762 1989033.624 1576748.728 1850207.688 Isopropalin 14666216.56 9271853.992 15760739.14 5756502.143 3059343.423 4970953.006 9078349.169 12931543.17 11671986.91 7006939.039 4951479.307 4737332.993 10916484.4 16161516.85 8230462.789 8046931.962 3991773.298 9423672.103 Ile Ser Val 29249226.82 20547533.71 21436984.34 22834857.99 19074323.37 18750841.42 11717597.73 10163460.25 21756815.91 18506796.63 29820354.88 20107870.22 8698233.073 17644569.65 10461298.08 13758693.91 11424649.96 13768191.47 2'-deoxy-5-(4,5-dihydroxypentyl)uridine 4810870.463 2812898.676 2591073.863 31839705.81 11590053.53 23969325.07 2384900.561 414548.4179 2731759.91 15021944.92 17489082.39 26549380.46 2420864.337 3465432.842 3775446.068 12371217.11 3032682.089 7227766.472 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one 74609249.89 136581881.5 144405085.5 186424878.7 243701049.7 190247655.8 86549727.65 245576632.9 71116545.61 183129285.3 209277776.3 202617028.1 148282997.6 102846198.2 92469224.29 264266830.4 349060400.5 231615405.6 Lys Ile Met 166308.2582 883004.5096 967653.1902 3478105.449 2093631.899 2154771.048 576649.448 88030.94848 370316.0957 1887202.121 2563153.214 2483008.78 225681.0944 544939.504 1114606.691 1492201.701 1336804.04 1676057.293 Gln Leu Phe 22712440.14 14689492.14 15674105.66 17350294.87 17260523.44 21449079.63 12971848.11 8482488.26 26179013.82 25482675.66 14471735.83 17976326.95 11000780.58 17010761.21 9986574.329 11325103.07 15578683.26 11819823.23 Stigmatellin Y 2127990.583 1824898.071 1686318.508 6079457.603 6809426.33 9628431.808 2406370.173 1592024.801 2606242.52 5294308.067 4594809.062 5045169.029 6503748.737 2825486.228 2259984.145 7932071.914 2849710.509 3172768.72 7-O-(6-sinapoylglucosyl)isovitexin 24508254.21 15485625.61 22311067.27 22004016.04 4481101.148 144727.9075 44018382.03 23166564.07 16881468.64 2816493.114 15753411.45 3493393.174 28012340.64 58587014.25 20570607.52 1273943.842 8150234.24 16576161.87 Dehydrodeguelin 1631388.539 4383055.839 4247278.993 30536158.99 16693982.09 12969260.27 2216627.634 1945191.013 5679400.758 21422791.81 26200756.89 11028234.84 2710652.372 1429974.843 2420857.719 14952053.1 31661003.6 22879223.55 secobarbital 1129494.887 1285460.757 805597.7145 352180.6732 226510.3547 137322.1019 278075.1871 995074.2535 982189.9153 357005.1247 440732.6266 356886.5414 1097355.427 1042259.747 455209.9412 187242.0068 48628.19977 58778.79118 Antibiotic Tue 2480F1 9274497.021 6907722.249 7349408.364 5522842.36 5663182.042 5731104.748 5688965.754 5693469.258 8121146.32 6455502.024 6686656.432 5415834.117 3553774.343 7289119.665 5922698.094 4754865.217 3670487.478 4402442.644 Dilatrin 10843115 3725337.087 7123778.566 28015164.37 8683605.008 7041686.663 3349508.345 7956798.552 2580744.992 7898181.16 34075980.91 57299687.87 6362190.801 2045660.651 9948141.981 10584656.85 46163165.09 83740828.35 Tyr Met 16434976.35 11182479.46 11700359.24 11878399.03 6213634.981 7391889.549 7284959.727 6298831.513 11793486.04 8082120.616 18240025.44 5733658.925 3934891.345 10198806.58 6927814.376 4620035.683 3947692.103 4062219.892 Loxtidine 188773.202 138216.8757 6551113.671 6771276.738 4049707.093 4779726.955 1557731.703 13238193.45 168994.4603 5172332.989 354131.3839 18186364.47 166029.5263 573646.3521 9634490.993 9154779.649 4616297.771 3711934.697 Chaksine 4891237.403 2907392.025 4111499.386 2282722.95 3589569.947 3413166.281 6101784.402 3414257.556 3847663.172 3751645.986 1748511.158 3329577.743 2503260.79 2946885.922 4111527.892 2847029.681 2388404.611 3433914.015 Aromadendrin 4'-methyl ether 23837528.17 10061330.51 25330979.31 57304361.67 16760679.82 17849828.1 14042330.24 24111046.02 18086357.67 14744746 35909276.39 25155130.55 9122016.483 13087061.35 27248977.64 21140065.82 34435633.58 23916977.04 Thalidomide 3261245.532 1029542.616 3808450.012 1975167.652 1387969.321 2417835.898 1151256.24 3807499.376 3691522.278 1885380.698 3311329.284 2427557.953 2513325.459 2319455.435 1817860.489 3539406.649 2521424.643 2422482.277 (E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadiene 4086875.573 4106407.205 4162546.5 4980428.375 4374314.687 4666140.095 3751263.502 3809698.95 4376076.812 4062137.219 4198150.754 4084271.632 3204831.868 3754450.531 3528319.244 4154821.906 4100444.608 3945218.061 Rehmaglutin C 1371893.491 1998764.01 2071628.852 2431245.599 2265358.559 2536451.424 2170083.35 1995158.944 2109204.512 1865462.491 1224803.24 1807233.451 1938589.542 1908681.297 1876980.191 2358724.197 2214274.886 1995544.489 1-Anilino-9,10-dioxo-2-anthroic acid 8891886.44 5670229.311 7713473.703 4058967.654 2190686.522 2458170.414 5736558.801 5903367.111 8112447.259 1695255.862 2878970.147 2991733.065 5902278.173 8243405.188 7194429.532 2124392.939 3319749.109 3219003.37 N2,N5-Dibenzoyl-L-ornithine 17104127.48 10055493.95 14644135.69 33435123.49 11550398.84 15062564.82 24306666.49 24668845.15 7052209.404 19157368.93 22976919.22 25434989.42 8152037.87 10072319.61 8226197.428 1141692.814 9849303.351 2123219.115 Asn Val Leu 29552338.94 32129785.63 32126460.78 32463690.61 33151555.75 31528502.02 10098528.7 12311534.94 26464471.12 23420939.19 53581786.82 26064198 11582432.11 19117801.83 11188692.53 15640422.33 18303138.19 31441379.28 Gentiascabraside A 7027507.187 6371632.24 9557702.721 12781372.21 7265005.047 9987770.582 5213076.656 8304387.7 6267835.551 9688560.922 13114750.5 24524297.46 1673094.898 6434078.688 3836108.765 8898105.108 12998097.61 8597004.152 Erypoegin H 726014.8385 732194.0093 966048.8578 1348177.823 3651164.808 2836613.195 790196.3274 873363.4416 58353.95107 2361428.526 2711888.027 902466.6696 905456.6148 767783.2405 1278621.498 4528777.008 1080481.979 878410.2194 Naringin 6''-malonate 997130.5946 434793.9877 269734.1962 7552911.218 744127.555 380566.7896 426823.9282 277349.0576 878739.0405 430277.9989 1365333.252 2009073.284 793902.0482 771988.559 1824364.34 823683.2471 1757338.956 1876337.537 5,7,4'-Trihydroxyflavonone 4'-O-xylosylglucoside 8941061.425 4801300.636 9065452.47 13001006.18 8289581.637 11068749.24 5780004.248 6201219.595 17173456.43 8247838.73 11924567.65 13406652.76 3603555.611 6609515.581 5575309.378 8561521.853 17517059.38 8505903.551 luteolin 7-O-beta-D-glucoside-4'-(Z-2-methyl-2-butenoate) 19327725.38 11570244.85 16544669.25 284318869.1 283946575.5 138280537.1 19184919.89 12085817.44 14594710.07 182794453.3 305326222.2 227580986 12619342.64 20384915.18 20296854.43 209500683.8 252744033.1 167786623.2 Cajaisoflavone 273460.8916 1164947.829 1255953.515 20453538.49 6804398.7 2846337.452 1568520.858 260997.0283 1180179.483 7433521.738 35455425.38 11835410.13 1538609.902 238381.4542 2601663.447 9461432.863 77393175.6 84571734.44 Caloxanthone D 370667.295 1192451.191 1451211.772 13003107.41 13008607.03 8167732.05 1327898.946 1327279.076 442471.0154 9052120.73 12841210.58 9655655.877 1485615.084 1181917.165 1141577.312 20531052.86 13476008.69 10205356.42 Pro Pro Arg 43843928.51 46739874.29 99801603.12 954865280.8 1227301909 1645871030 30228923.03 76803652.63 47796074.56 999896574.6 561680738.2 678217464.4 37380544.79 53061345.26 58905210.48 953090227.4 1231706112 1157231242 Methyl 4-O-galloylchlorogenate 14631804.78 6482702.999 11877694.16 27965974.53 11309072.34 9078322.26 14208074.69 7528142.858 12727169.15 22256383.19 14898429.71 12543964.81 6896886.702 10773779.74 17696326.07 25157415.35 17737484.24 25426116.06 Ganoderic acid W 11100339.44 13324684.63 11173010.23 2522081.002 3446087.921 2394610.095 12183501.43 10497576.1 8078966.287 2862044.148 3364746.37 2005164.957 18827054.26 9410554.449 8738737.62 2757990.529 2728556.192 3697302.487 Pro Thr Ile 27743140.12 20577270.42 24633886.3 28010524.92 14316849.22 13972407.37 11636418.49 12464571.41 23767448.79 14546784.68 32849810.64 13485998.85 9969087.719 29412423.17 16608546.47 8836690.819 8648977.12 11265552.88 5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside 1762193.857 1336311.829 840279.4079 914894.135 302743.0358 1162145.924 1332129.511 3285180.133 1082310.594 816946.7316 2338292.417 615590.6334 2033111.975 2158647.728 1613586.199 495765.6693 601297.2821 812803.4133 Scrophuloside A 1542489.883 2329293.949 2032060.763 4283187.433 10867658.91 5098507.785 1736377.801 1739465.688 1498999.668 10622396.1 12773768.08 4974625.883 2029210.303 1878914.612 1649071.448 5367001.89 4166877.7 4621231.851 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name "quantified m/z " "retention index " KEGG ID PubChem ID 7,8,3',4'-Tetrahydroxyflavone 287.05513 5.718 - - Gypsogenin 453.33654 6.527 C08950 92825 Prosaikogenin D 641.4028 7.746 - 156599143 Baldrinal 219.06558 5.484 C16811 - Ecliptasaponin D 657.3978 7.63 - - 2,3,5,4'-Tetrahydroxystilbene 2-O-beta-D-glucoside 429.11556 5.835 - 5321884 14-Hydroxy sprengerinin C 893.44976 7.323 - - Bufalin 369.24237 6.869 C16922 2464 Fumagillol 265.17992 8.177 - 219089 Saikogenin D 455.35229 6.389 - 9890994 Polyphyllin H 853.45739 7.323 - - Ambroxide 237.22148 9.128 - 10857465 Quassin 411.17704 5.733 C08778 4998 Questin 285.07582 5.594 C01448 - Lucyoside B 835.44542 5.952 - - Cyaonoside B 963.49251 7.951 - - Vasicinone 203.08192 4.856 C10744 10242 Oxysophocarpine 285.15727 6.156 - - 20(R)-Ginsenoside Rg2 767.49365 7.309 - - Isoeleutherin 255.10166 6.199 - 101164912 Bayogenin 471.34733 6.483 - - Lactiflorin 485.14224 5.869 - 14605198 (+/-)-Abscisic acid 247.13315 5.645 C06082 - Zingibroside R1 817.43468 7.98 - - Panaxatriol 477.39442 7.015 - 328779 3'-Methoxyflavonol 269.08081 5.923 - - Diosmetin-7-O-beta-D-glucopyranoside 485.10559 6.259 - 11016019 Regaloside A 423.1265 5.645 - 5459131 Colutehydroquinone 333.1334 6.287 - 101997792 4'-Hydroxy-2,4-dimethoxychalcone 285.11223 6.505 - 5729232 Adenine monohydrochloride hemihydrate 136.06204 1.546 - - D-erythro-Sphingosine 322.27227 8.157 C00319 - Methyl 2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetate 207.13816 6.753 C11512 - trans-Nerolidol 205.19531 8.62 - - Glycyrrhetic acid 3-O-beta-D-glucuronide 669.36107 6.465 - - Isomucronulatol 303.12278 6.405 - 602152 Sedanolide 195.13812 6.68 - - Resibufogenin 367.22706 6.462 C17058 259992 Persicogenin 317.10206 6.127 - 320054 3'-Hydroxypterostilbene 273.11223 5.908 - - Bombykol 256.26341 9.746 C16873 - Ajugol 371.13152 5.937 - 14355407 (+)-Columbianetin 247.09679 5.689 C19707 92201 Incensole Acetate 349.27293 9.673 - - Epoxymicheliolide 287.12534 6.068 - - Arjunetin 673.39274 6.214 - 21152828 Hispolon 203.07041 5.937 - 53395354 Isoastragaloside I 891.47141 7.703 C17793 13800311 Darutoside 507.29284 6.957 - - Kirenol 361.23485 7.893 - 45934421 Alisol B 23-acetate 515.37329 6.632 - 14036809 Senkyunolide A 193.12253 6.971 C17853 - Atractylenolide III 231.13815 6.971 C17887 196319 Dibutyl maleate 251.12553 5.997 - - Shikonin 271.09684 5.514 C17412 - Nepodin 199.07559 5.66 C09954 - Dihydroartemisinin 307.15193 6.228 D07362 540327 Oroxylin A 307.05758 6.025 - - Pennogenin 3-O-beta-chacotrioside 867.47404 7.03 - - Phillygenin 355.15394 5.604 - - Fraxinellone 233.11746 7.059 - 124039 Ferutinin 381.20385 7.397 - 496289 Aristolactam I 311.10223 6.141 - - Senkyunolide H 207.10178 5.293 - 13965088 Agarotetrol 301.10697 6.622 - 13606036 Proscillaridin A 513.28459 7.703 D01379 - Bisabolol oxide A 221.19015 6.185 C16773 90806 Citrinin 233.08102 5.923 C16765 - Enfumafungin 731.39797 7.499 - - 2-Desoxy-4-epi-pulchellin 233.15378 6.119 - - Lawsone 175.03917 5.908 C10368 6755 Tenacissoside G 815.41938 7.907 - - Geranylgeraniol 273.25776 10.251 C09094 - alpha-Boswellic acid 439.35733 10.842 - - Murrayone 241.086 5.908 - - Astragaloside II 849.46084 7.484 C17798 13996693 Kaempferol-7,4'-dimethyl ether 315.08628 6.054 - - Sophoricoside 433.11357 5.572 - 5321398 Brefeldin A 281.17482 6.462 - - Asiatic acid 511.33975 7.834 C08617 119034 Germacrone 201.1639 7.951 C16966 81323 Madecassic acid 527.33472 7.294 - 258809 Curcumol 237.18509 5.908 - 228604 Sulfuretin 271.06035 5.704 C08730 - Pachymic acid 511.37843 6.927 C17044 - Poricoic acid B 467.31588 6.447 - - Sinapaldehyde 209.08114 5.718 C05610 119216 Pinoresinol dimethyl ether 409.16222 6.694 C10561 - 2-Carboxybenzaldehyde 133.02877 4.895 C03057 - Ganoderal A 419.33078 10.487 - 13934281 Calycosin-7-O-beta-D-glucoside 447.12902 5.514 - - Astragenol 473.36288 6.083 - 11944583 Orsellinic acid 169.04981 5.01 C01839 - Quillaic acid 469.33158 6.927 C08972 - Cyclogalegenin 473.36267 7.338 - 13943287 4-Methoxyphenethyl alcohol 135.08059 6.68 - - Astragaloside I 851.47872 7.705 C17797 3715266 3-Epiursolic Acid 479.35001 8.53 - - Nardosinone 251.16428 6.554 - 168136 Isocurcumenol 217.15884 6.636 - 5255901 Alisol C 23-acetate 511.34163 6.52 - 14036813 Alisol A 513.35546 7.776 C17459 15558614 12-Deoxywithastramonolide 471.27323 6.782 - - 3-O-Caffeoylquinic acid methyl ester 391.10032 5.01 - - Bavachalcone 325.14334 5.616 - 480795 Sec-O-Glucosylhamaudol 461.14236 5.175 C17484 10478277 (-)-Syringaresinol 401.15962 5.616 - 11604108 Kifunensine 233.07704 1.531 - 3829 Apigenin 7-O-malonylglucoside 519.11399 5.69 C10020 - Dehydropachymic acid 509.36259 6.884 - 15226717 Artemisinin 265.14381 5.22 C09538 68827 Timosaponin AIII 763.42439 7.615 C17075 3272925 Alisol A 24-acetate 555.36586 6.927 - 76336194 Ganoderiol F 437.34158 7.464 - 10364 Gymnemagenin 529.35051 7.367 - - Pinoresinol 4-O-beta-D-glucopyranoside 543.18443 5.543 - - Dehydrotumulosic acid 467.35208 6.214 - 22134159 Hesperetin 7-O-glucoside 487.1217 5.747 C16422 20111686 alpha-Hederin 773.44537 7.206 C08954 267360 (20S)-Protopanaxadiol 483.38149 9.599 C20715 - Picfeltarraenin IA 785.40831 6.593 - - Manool 313.25007 10.072 - 92131 Panaxadiol 483.38146 8.643 - 328778 Beta-asarone 209.1175 5.968 C10430 17903 14-Deoxyandrographolide 357.20369 7.992 - 343586 Isoliquiritin apioside 573.15808 6.016 - 480798 Asperuloside 437.10593 5.425 C09769 233330 Nicotinic acid riboside 256.08178 1.442 - 161234 Kainic acid 214.10767 5.278 C12819 10255 Wilforlide A 477.33464 8.737 - 5257561 D-(+)-Melezitose 527.15857 1.442 - - Trigonelline 138.05513 1.442 C01004 5570 Tetrahydrocortisone 365.23207 6.549 C05470 12444617 Perillyl alcohol 135.11695 7.288 C02452 10819 7,4'-Di-O-methylapigenin 299.0915 6.534 C10019 5281601 4-Ethylphenol 123.08072 6.141 C13637 31242 Tricaprilin 493.35024 11.12 C13044 10850 Epiandrosterone 291.23189 8.874 C07635 11055399 3-Oxo-4,6-choladien-24-oic acid 353.24751 6.862 - 5283992 Cortisone acetate 385.20076 6.432 C08173 5745 3-Amino-2-piperidinone 115.08704 1.442 - 5200225 11beta-Hydroxyandrosterone 289.21628 7.615 C14606 10286365 Matairesinol 341.13866 5.572 C10682 119205 beta-Elemonic acid 455.3522 8.74 - 3083613 2-Amino-1-phenylethanol 120.08115 5.01 C02735 1000 11beta-Hydroxyprogesterone 313.21611 6.622 C05498 101788 Caryophyllene oxide 203.17945 9.467 C16908 14350 Isoalantolactone 215.14318 6.876 C09484 605266 Retinoic acid 283.20568 7.513 C00777 444795 Guaiazulene 199.14828 7.499 C09675 3515 9-cis-Retinal 267.21085 10.977 C16681 6436082 Indole-3-carbinol 130.06538 5.66 - 3712 Riboflavin 377.14615 5.44 C00255 493570 Isorhamnetin 317.06594 5.893 C10084 5281654 H-Val-Tyr-OH 281.14996 5.071 - 7009554 (Ethoxymethyl)benzene 119.08584 7.323 - 10873 2'-O-Methyladenosine 282.12005 4.889 - 317398 4-Hydroxybenzyl alcohol 107.04971 5.18 C17467 125 21-Hydroxypregnenolone 315.23194 7.705 C05485 247020 DEHP 413.2663 10.621 C03690 - S-adenosyl-L-methionine 399.14485 1.413 C00019 34756 Histamine 112.08748 1.228 C00388 774 Monoolein 339.28927 10.116 - 33022 7-Dehydrocholesterol 385.34665 9.277 C01164 439423 Uvaol 443.38891 10.206 - 92802 L-Alanyl-L-leucine 203.13943 5.234 C20964 96801 Ononin 431.1338 5.893 C10509 3733033 Corosolic acid 495.34503 8.86 - - Demethoxycurcumin 339.1229 5.602 C17742 5469424 Artemether 321.16743 6.482 D02483 68911 Dihydromethysticin 259.09698 5.175 C09926 229852 Naringenin chalcone 273.07603 5.704 C06561 5280960 Raspberry ketone glucoside 349.12614 5.995 - 22376357 Isoliquiritigenin 257.08101 6.301 C08650 638278 10-Gingerol 373.23507 8.559 C17496 5275726 Polydatin 413.12077 6.277 C10275 5281718 Sclareolide 251.20078 6.642 - 61129 1-Hydroxyanthraquinone 225.05485 5.616 C02980 8512 Arnidiol 425.37804 10.962 - 572801 Palmitoylglycine 296.25852 7.98 - 151008 2,6-Dimethoxy-1,4-benzoquinone 169.04986 5.366 C10331 68262 Eupatorin 345.09706 6.112 - 97214 Bancroftinone 193.08609 5.995 - 11287272 Obtusifolin 285.07578 6.025 C17039 3083575 Dihydrokaempferol 271.06043 5.381 C00974 122850 [8]-Shogaol 327.19359 8.157 - 5281794 11-Keto-beta-boswellic acid 471.34725 9.04 - 9847548 Jujuboside B 1027.54767 7.572 C17832 73156987 Ganoderol B 423.36234 8.815 - 13934285 2'-O-Methylisoliquiritigenin 271.09657 6.045 C15531 5319688 Xanthoxylin 197.08096 6.01 C10726 66654 Ginsenoside Ro 979.48748 7.192 C17543 12302914 Ligustrazine 137.10757 5.777 - 14296 Resveratrol 229.086 5.484 C03582 445154 Rhamnocitrin 301.07078 6.738 C17059 5320946 Sinapyl alcohol 193.08614 6.406 C02325 5280507 Paradol 301.17754 8.468 C10482 94378 Tropolone 123.04436 6.405 C15474 - Hispidol 255.06535 6.025 C08644 5281254 Soyasaponin Bb 965.50821 7.309 C08983 122097 Phenylalanylalanine 237.12382 5.131 - 5488196 Glucovanillin 337.08971 5.587 C19808 3648225 Brassicin 479.11874 5.747 - 12302035 Scutellarein tetramethyl ether 343.11763 5.929 C14472 96118 DL-Leucyl-DL-phenylalanine 279.17056 5.641 - 259325 Stearamide 284.29477 10.561 C13846 31292 Harmalol 201.10307 6.593 C06537 3565 Tilianin 447.12907 6.345 - 5321954 Methylnissolin 301.10703 5.908 C17416 5319733 Soyasapogenol A 457.36799 7.907 C17419 12442845 Spathulenol 203.17965 8.816 - 92231 beta-Damascone 193.15889 7.732 - 5374527 Demethoxyencecalin 203.10695 5.53 - 177040 Neoglycyrol 367.11768 5.923 C16968 5320083 Ethyl linolenate 329.24518 9.143 - 5367460 Malabaricone C 381.16754 6.141 - 100313 Sesamin 355.11782 5.529 C10882 72307 2-Hydroxyacetophenone 119.04953 6.555 C07189 - Soyasapogenol B 481.36555 8.801 C08980 115012 Levomenol 205.19515 9.952 C09621 442343 Ganoderic acid DM 469.33147 7.382 - 73745597 Methyl oleanonate 451.35706 9.849 - 609116 L-Pipecolic acid 130.08654 1.457 C00408 439227 N-Acetylglutamine 189.08719 1.457 D07063 182230 L-Norleucine 132.10219 3.256 C01933 21236 trans-10-Heptadecenoic acid 251.23713 8.446 - 4385123 cis-11-Eicosenoic acid 293.2839 10.753 C16526 5282768 alpha-Linolenic acid 279.23197 8.172 C06427 5280934 cis-13,16-Docosadienoic acid 319.29987 9.157 C16533 5282807 cis-5,8,11,14,17-Eicosapentaenoic acid 285.22134 10.977 C06428 446284 12-hydroxystearic acid 318.30036 7.099 - 7789 Ricinoleic acid 321.24024 7.98 C08365 5282942 Indoleacrylic acid 170.06028 5.293 C21283 5375048 Indolelactic acid 188.07087 5.293 C02043 676157 N'-Formylkynurenine 237.08693 4.878 C02406 910 Cinnamic acid 149.05992 5.733 C10437 5372954 Phthalic acid 149.02355 5.778 C01606 1017 3-(4-Hydroxyphenyl)propionic acid 167.07043 6.403 C01744 10394 cis-11,14-Eicosadienoic acid 291.26836 10.236 C16525 6439848 3-hydroxydecanoate 171.13807 6.418 - 5312799 3-hydroxylaurate 239.16212 7.192 - 5312805 guanidinosuccinate 158.05631 1.931 C03139 439918 homoarginine 189.13487 1.398 C01924 9085 methionine sulfoxide 166.05346 1.425 C02989 158980 N-acetylarginine 217.12988 1.871 C02562 67427 trans-urocanate 139.05034 1.442 C00785 736715 Gama-glutamylalanine 219.09769 1.451 C03740 440103 gamma-Glutamylphenylalanine 277.11856 5.337 - 111299 N-Alpha-acetyllysine 189.12361 1.472 C12989 92907 Asymmetric dimethylarginine 203.1505 1.442 C03626 123831 Caffeate 163.0392 5.487 C01197 689043 2-Pyrocatechuic acid 137.02346 7.397 C00196 19 trans-Ferulic acid 177.05467 5.923 C01494 445858 3-(2-Hydroxyphenyl)propanoic acid 149.06 5.01 C01198 873 trans-10-Nonadecenoic acid(C19-1T) 279.26843 10.428 - 5312512 Petroselaidic acid(C18-1T) 265.25264 9.952 - 5282754 p-Cresol 109.06521 6.156 C01468 2879 5'-Methylthioadenosine 298.09724 5.264 C00170 439176 gamma-glutamylglutamate 277.10308 1.457 C05282 92865 N1-methyladenosine 282.11989 2.022 C02494 27476 pseudouridine 267.05904 2.346 C02067 15047 3-Methoxyanthranilate 150.05528 4.737 C05831 255720 Methyl dihydrojasmonate 209.15387 5.631 - 102861 Aspartylphenylalanine 281.11337 5.366 - 93078 Panthenol 206.13912 5.131 C05944 131204 Oleamide 282.27926 11.397 C19670 5283387 Linoleic acid amide 280.26342 9.467 - 6435901 Calcidiol 383.3309 8.816 C01561 5283731 5-Methoxyuridine 297.06968 4.874 - 1265899 3,4-Dimethoxyphenylacetic acid 219.06337 5.01 - 7139 L-Theanine 157.09739 1.457 C01047 439378 L-Leucyl-L-Valine 231.17068 5.366 - 352038 5-oxoproline 130.0502 1.472 C01879 499 Phenylpropiolic acid 164.07092 5.041 - 69475 Prolylhydroxyproline 229.11845 1.465 - 11902892 Phenylalanylvaline 265.155 5.455 - 7359121 Methyl Nicotinate 138.05511 6.083 D04991 7151 Indole-3-carboxaldehyde 146.06026 5.293 C08493 10256 D-Pinitol 217.06855 1.395 C03844 - 3,4-Dihydroxyhydrocinnamic acid 183.06538 6.17 C10447 348154 Xanthurenic acid 206.04514 5.027 C02470 5699 3-Methylindole 132.08107 5.293 C08313 6736 Nicotinamide 123.05569 2.039 C00153 936 oleoyl ethanolamide 326.30542 9.849 C20792 5283454 Picolinic acid 124.03966 1.457 C10164 1018 Spermidine 146.1654 1.198 C00315 1102 Myristoleic acid 209.1901 9.952 C08322 5281119 Glucosamine 162.07634 2.069 C00329 439213 2-Methylpentanedioic acid 169.04706 5.264 - 12046 L-Leucine 132.10221 2.686 C00123 6106 L-Phenylalanine 166.08651 5.01 C00079 6140 L-Glutamic acid 148.06062 1.451 C00025 33032 L-Proline 116.07103 1.442 C00148 145742 Glycyl-L-leucine 189.12363 5.249 C02155 79070 L-Histidine 156.07695 1.417 C00135 6274 L-Threonine 120.0659 1.442 C00188 6288 L-Tryptophan 205.09746 5.293 C00078 6305 Dimethylglycine 104.07128 1.428 C01026 673 Tryptophol 144.08096 5.674 C00955 10685 Syringic acid 181.0498 5.491 C10833 10742 Serotonin 159.09185 5.66 C00780 5202 28-Homobrassinolide 517.35077 9.054 - 4285635 4',5,7-Trimethoxyflavonol 351.084 1.291 - - Dehydroeburicoic acid monoacetate 511.37815 6.622 - - Blinin 375.21748 8.688 - 59054177 Bergenin 351.06897 1.442 C09919 2356 Sphingosine (d17:1) 268.26354 9.555 - - Mogroside IIe 823.48149 9.291 - - Oligomycin A 773.51995 11.323 C11311 - Lumisterol 397.34672 11.606 C19653 444679 alpha-L-Rhamnose monohydrate 183.08693 1.182 - - Fraxetin 209.04477 2.714 C09265 - Ginsenoside Rg6 789.47611 10.192 - 75231332 Regaloside C 439.12175 1.442 - 14135348 3-O-Acetyl-11-hydroxy-beta-boswellic acid 497.36286 7.162 - - beta-Amyrone 407.36744 10.428 - - (E/Z)-Ginkgolic acid C17:2 355.26315 7.513 - 101926662 Podecdysone B 485.28759 9.269 C08832 - Shionone 449.37557 11.575 C17966 - Xanthotoxol 225.01612 1.468 C00841 65090 L-Ascorbic acid 2-phosphate 238.99481 7.776 C18340 54702575 AKBA 513.35772 6.876 - 45359902 Fucosterol 395.36751 11.666 C08817 131750945 Cholestenone 385.3466 11.292 C00599 91477 Malabaricone B 365.17297 1.291 - 163001 Thalidomide-5-OH 297.04826 1.516 - 5743568 4-Isopropylbenzyl alcohol 133.10129 9.467 C06576 325 Pivagabine 210.11028 9.009 D07342 68888 1-Naphthalenemethanol 141.06992 6.625 C14089 20908 Esculin 363.06904 2.238 C09264 5281417 Muscarine 174.14919 5.425 - 5079496 Ganoderenic acid B 497.28918 8.291 - 131751853 D-alpha-Tocopherylquinone 469.36526 9.526 - 24205 Kukoamine B 553.29871 7.382 C17616 10346914 Brassicasterol 381.35169 11.337 C08813 5281327 Withanolide B 477.26154 9.137 - 5282367 cis-7,10,13,16-Docosic acidtraenoic acid 333.27882 6.607 C16527 5497181 cis-4,7,10,13,16-Docosapentaenoic acid 313.25255 6.68 - 6441454 3,4-Dihydroxybenzeneacetic acid 191.03189 1.381 C01161 547 3-hydroxy-3-methylglutarate 185.04242 1.306 C03761 1662 Cysteinylglycine 179.049 4.903 C01419 439498 Brassidic acid 321.31531 11.545 - 5282772 cis-11,14,17-Eicosatrienoic acid 289.25253 6.156 C16522 3210 Cyclic N-Acetyl-D-mannosamine 204.08687 6.083 C00645 11096158 L-Histidine trimethylbetaine 220.10517 5.514 C05575 3083620 2,5-Dihydroxybenzaldehyde 121.02868 10.621 C05585 70949 Questiomycin A 235.04862 1.182 C02161 72725 Aminocaproic acid 114.09184 5.425 C02378 564 Spermine 203.2235 1.274 C00750 1103 Tetraethylene glycol monododecyl ether 363.3108 9.232 - 78933 Octadecylamine 270.31569 9.172 - 15793 Lauroyl diethanolamide 288.25327 7.885 - 8430 1-Nitrosopiperazine 116.08216 1.442 - 21845 Xylometazoline 245.20117 5.558 C07913 5709 2-[(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoxy]propane-1,3-diol 365.30542 7.229 - 53394295 (6E,10E)-2,6,10-Trimethyldodeca-2,6,10-triene 207.21097 11.41 - 4475483 1,4-Dithiane-2,5-diol 153.00359 1.182 - 98330 Hex-trans-3-en-1-ol 101.09668 5.44 - - Hydroxyprolyl-Arginine 288.16679 2.176 - 131750764 1h,8h-Pyrano[3,4-c]pyran-1,8-dione 165.01836 7.776 - 57405781 Serylglutamine 234.1087 1.428 - 7016081 Kinetensin 1-3 359.24059 5.01 - 134159843 SM(d18:0/16:1(9Z)) 703.57408 11.278 C00550 53481781 L-Proline, 1-(1-L-leucyl-L-prolyl)- 326.20776 5.16 - 18222233 (8E,15E)-1,8,15-Heptadecatriene-11,13-diyne 227.17951 6.927 - 131751122 LysoPC(18:2(9Z,12Z)/0:0) 542.32229 9.04 - 11005824 (+/-)-2-Phenyl-4-methyl-2-hexenal 189.12753 6.753 - 53424808 Apocarotenal 417.31525 6.156 - 61263 Valylproline 215.13946 4.918 - 9837272 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid 343.24811 7.513 - 6366720 Threonylhydroxyproline 233.11335 1.457 - 69041809 2-(1-Propenyl)-delta1-piperideine 124.11243 1.041 - 56972723 MG(0:0/i-15:0/0:0) 334.29526 7.147 - 131779636 2-Gonen 231.2109 8.166 - 76376697 Serylvaline 205.11855 2.893 - 7020158 Drometrizole 226.09766 6.287 - - Glutaminylasparagine 261.11951 1.456 - 14767397 Food orange 7 461.3415 6.622 - 92861 Creatine glutamate 277.11421 1.442 - - 4'-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone 208.10865 5.381 - 129852253 Lysylserine 234.14518 1.228 - 151428 10'-Apo-beta-carotenal 377.28391 6.52 - 6450190 9-Octadecen-1-amine 268.29976 10.753 - 8219 Geranylcitronellol 293.28384 7.075 - 5365870 Glutaminylhydroxyproline 260.12445 5.256 - 69040781 6,8-Tricosanedione 353.3416 11.396 - 86117952 13-Heptadecyn-1-ol 253.25274 8.438 - 557439 Isoleucyl-Threonine 233.14978 3.066 - 18218220 cis-Linoleic acid 267.23201 8.382 - - Hydroxyprolyl-Valine 231.13418 5.249 - 61158071 Asparaginylasparagine 247.10397 1.457 - 16122514 CPA(18:1(11Z)/0:0) 419.25605 9.673 - 53477946 Nigellicine 247.10781 5.66 - 11402337 L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid 160.07191 1.808 - 86205608 2,5-Bis(acetylamino)pentanoic acid 217.11847 1.457 - 10398396 4'-O-Methylglucoliquiritigenin 433.14921 5.579 - 75614571 (6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid 257.17474 6.593 - 134819282 Labienoxime 210.18527 9.467 - 6432934 Lysylproline 244.16582 1.432 - 171204 2-Aminopropane-1,3-dithiol 124.02472 1.182 - 22913969 Prolyl-Gamma-glutamate 244.12943 1.454 - 131750782 Hypusine 234.18156 1.228 - 65396 8-Azahypoxanthine 138.04029 1.182 - 75895 Aminofurantoin 209.06633 1.182 - 159920 2-O-Acetyl-trans-coutaric acid 339.07168 5.734 - 10382471 Alanyltyrosine 253.11852 1.59 - 92946 Octadecyl cis-p-coumarate 417.33658 10.384 - 12018904 (5Z,8Z)-1,5,8-Heptadecatriene 235.24218 11.41 - 101631554 Aminomethanesulfonic acid 112.00676 1.182 - 83791 Geran-8-YL geran 275.2733 6.585 - 4632241 5'-N-Methylcarboxamidoadenosine 295.11566 5.381 - 288044 Threonylthreonine 221.11323 1.442 - - 20-Dihydrodydrogesterone 311.27311 7.309 - 21563790 gamma-Glutamylhydroxyproline 261.10859 5.205 - 118243642 1-Acetyl-2-methylcyclopentene 193.19523 7.185 - 572165 CPA(18:2(9Z,12Z)/0:0) 417.24034 8.965 - 53477947 Methyl linoleate 295.26343 6.151 - 5284421 Saccharopine 277.1397 1.442 C00449 160556 Glutamyltyrosine 311.12401 4.874 - 515717 MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0) 351.25272 6.432 - 53480962 Asperorydine J 359.16004 5.937 - - Glycyrrhizic Acid 823.4111 7.074 C02284 - 1,2-dihydroxyheptadec-16-yn-4-yl acetate 349.23509 8.77 - - (Z)-5,8,11-trihydroxyoctadec-9-enoic acid 353.2298 6.709 - - 1,2-dihydroxyheptadec-16-en-4-yl acetate 351.25076 9.35 - - N-(9-oxodecyl)acetamide 214.18028 7.834 - - (2E)-2-[hydroxy(phenyl)methylidene]-6-methoxy-1-benzofuran-3-one 291.06286 6.505 - - N6-Threonylcarbamoyladenosine 413.14197 5.249 - 161466 Kaempferol-3-O-glucoside 449.10816 5.718 C12249 5282102 N-Acetyl-DL-aspartic acid 176.05568 2.131 C01042 65065 dA 252.10827 2.062 C00559 13730 ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE 330.06005 2.208 - - S-Methyl-methionine 164.07432 1.274 - - Orotic acid 157.02465 1.531 C00295 - Phenylalanylphenylalanine 313.15467 5.674 - - Ritalinic acid 220.13347 5.381 - - N-[3-(Dimethylamino)propyl]dodecanamide 285.2901 7.25 - 51392 Ala-Val 189.12365 3.051 - - Dioctyl Phthalate 391.28432 10.621 C03690 - 1,2-Cyclohexanedione 113.06015 1.457 C06105 - Dehydroepiandrosterone 253.19512 7.51 C01227 - Caffeine 195.08804 5.44 C07481 2519 Palmitoleoyl Ethanolamide 320.25603 7.849 - - 3_4_didhydroxypregna5_17_diene10_2carbolactone 367.18889 6.476 - - Pacificanone A 345.24018 8.172 - - Microsporin B 537.30382 8.588 - - N,N-Dimethyltetradecylamine 242.28443 8.544 - 8211 N,N-Dimethyldodecylamine 214.2531 7.206 - 8168 Methyl pheophorbide b 621.27083 10.043 - - Luteolin 3'-methyl ether 7-malonylglucoside 549.12445 5.476 - - 2-Oleoyl-sn-glycero-3-phosphocholine 522.35567 9.57 - - 2-linoleoyllysophosphatidylcholine 520.34004 9.04 - - Sarcophyton polyhydroxysterol 463.37841 11.589 - - LysoPE(0:0/16:0) 454.29271 9.453 - - 1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate 435.25107 8.97 - - alpha-Tocomonoenol 429.37273 9.526 - - spinosyn macrolactone 423.27423 10.916 - - 10'-Apoviolaxanthal 409.27391 8.42 - - 4,4'-Diapophytofluene 407.36731 10.872 C19840 - 11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid 387.32575 10.354 - - Succinyladenosine 384.11533 5.071 - - Abafungin 379.15803 4.996 - - Glu Ile Ile 374.22883 5.66 - - Betaenone B 369.26356 7 - - 10-Deacetoxybarbilycopodin 365.26842 8.148 - - 1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate 353.26869 8.994 - - (13S,14S)-epoxymaresin 343.22674 7.499 - - Subamolide C 337.27381 8.98 - - 6E-Geranylgeraniol-19-oic acid-1-O-methyl ether 335.2578 9.879 - - alpha-Linolenoyl Ethanolamide 322.27402 7.644 - - Halisphingosine A 316.28482 7.907 - - H-LEU-LEU-ALA-OH 316.22336 5.41 - - (9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid 311.22167 6.723 C07357 - Glutathione 308.0916 5.085 C00051 - Nicotianamine 304.15052 1.457 C05324 - Leu-Thr-Ala 304.18698 5.116 - - Lysylphenylalanine 294.18158 4.918 - - Phe-Ala-Gly 294.14525 4.903 - - 9,10-EOT 293.21096 7.849 C16324 - 12-OPDA 293.21119 7.513 C01226 - Stearidonic acid 277.2164 8.113 C16300 - Kaurane 275.27338 10.753 - - H-Thr-Phe-OH 267.13418 5.337 - - H-Leu-Glu-OH 261.14489 4.692 - - (-)-Tochuinyl acetate 261.18505 6.432 - - 13-Apo-beta-carotenone 259.20571 6.665 C20696 - Leu-Ala-Gly 260.16079 3.02 - - H-Ile-Gln-OH 260.1609 5.19 - - Ile Ile 245.18629 5.558 - - H-Val-Met-OH 249.12726 5.116 - - Pirbuterol 241.15488 1.457 C07807 - Ser Leu 219.13437 5.175 - - 1,2,4-Trimethoxynaphthalene 219.10193 5.514 - - 3,7-Dimethyl-2,5-octadiene-1,7-diol 213.14869 7.044 - - 3-Hydroxy-beta-ionone 209.15376 7.499 - - 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien 191.14322 5.913 - - 3-Hydroxy-L-phenylalanine 182.08152 5.041 C20807 - 4-Methylumbelliferone 177.05478 11.688 C03081 - Ionene 175.14823 7.309 - - 1,1,5-trimethyl-1,2-dihydronaphthalene 173.1326 7.323 - - Lamoxirene 163.1119 5.866 - - Geijeren 163.14817 6.622 - - 3-Isochromanone 149.0599 11.679 C07728 - Methyl pyroglutamate 144.06567 6.076 - - 4-Propylphenol 137.09626 5.908 C14311 - Adenine 136.0621 4.874 C00147 - alpha,4-Dimethylstyrene 133.1014 5.908 - - alpha-Methylstyrene 119.08581 9.467 C14395 - Ethylbenzene 107.08588 9.952 C07111 - Pisumsaponin II 941.51106 7.936 - - Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside 757.19786 5.704 - - Kaempferol 3-(6''-ferulylglucoside) 625.15482 5.674 - - Isorhamnetin 3-(6''-malonylglucoside) 565.11906 5.791 - - Luteolin 4'-methyl ether 7-(6''-malonylglucoside) 549.12417 6.025 - - 2'-Hydroxygenistein 7-O-(6''-malonylglucoside) 535.10888 5.762 - - Malonylglycitin 533.12929 6.039 C16197 - Segetalin G 519.29309 10.916 - - Orthosphenic acid 489.35754 10.695 - - Phelligridin F 479.13384 6.476 - - Scutellarein 7,4'-dimethyl ether 6-glucoside 477.13942 5.514 - - Stellettin J 453.33659 5.937 - - 3beta-Hydroxyonocera-8(26),14-dien-21-one 441.37303 10.905 - - Tachiogroside B 433.13444 5.324 - - Magnolone 387.14323 5.835 - - Kuanoniamine D 361.111 5.234 - - 1-Monolinolein 355.28374 9.453 - - 5'-O-beta-D-Glucosylpyridoxine 332.1342 2.316 C03996 - Erythrophloin E 325.2163 6.767 - - Hynapene A 325.20098 6.156 - - Dinor-PGD2 325.20095 6.551 - - Vitexdoin C 325.10732 5.558 - - Linoleamide MEA 324.28984 9.335 - - 4''-Deoxyterphenyllin 323.12809 5.536 - - 3,6-Dihydroxy-5,7-dimethoxyflavone 315.08639 5.616 - - 7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one 311.12805 5.514 C15051 - 2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane 309.27876 8.755 - - Viteagnusin D 309.27879 6.476 - - Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate 309.24265 8.128 - - Callyspongenol A 309.22129 8.054 - - Corchorifatty acid B 309.20609 7.25 - - 12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid 309.20608 7.426 - - 9-Hydroxygeranyllinalol 307.26327 5.879 - - 9(S)-HODE 297.24256 8.62 C14767 - 9-Geranyl-alpha-terpineol 291.26831 6.214 - - Tuberatolide A 291.19555 6.682 - - Dianthoside 289.09205 4.981 - - coniferonic acid 277.21634 7.849 - - Dicranin 275.2007 6.491 - - Cinmethylin 275.2007 6.88 C10903 - beta-Springene 273.25766 6.199 - - Octadeca-8,10,12-triynoic acid 273.18497 6.159 - - Arteincultone 269.17498 7.147 - - Farnesyl acetate 265.21633 7.99 - - 3-Deoxyestradiol 257.19009 6.483 C14239 - Montiporyne F 257.19009 6.986 - - (S)-Panaxjapyne A 247.20576 7.309 - - Callicarpenal 235.20587 8.711 - - Dehydrooreadone 235.13294 6.185 - - Thr Leu 233.14995 5.234 - - 9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate 229.14377 5.811 - - carbidopa 227.10292 4.981 - - Genipin 227.09171 5.41 C09780 - Placidene C 223.13299 7.235 - - Heteroplexisolide E 223.13312 5.616 - - Fabianine 220.16987 5.66 C09949 - alpha-Cyclogeraniol acetate 211.16941 5.966 - - Libanotic acid 211.133 6.68 - - Jasmonic acid 211.13304 5.995 C08491 - (+)-4,5-Didehydrojasmonic acid 209.11758 5.41 - - alpha-Irone 207.17438 9.467 C09690 - Plastoquinone-1 205.12262 5.616 C16694 - Glu-Gly 205.08211 1.487 - - CADALENE 199.14823 6.622 - - Kobifuranone A 197.11753 5.806 - - Geranylacetone 195.1746 5.879 C13297 - Senedigitalene 191.17955 7.32 - - (R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene 189.16394 6.141 - - 3,6-Dihydrochamazulene 187.14823 6.623 - - Limonenecarboxylic acid 181.12241 6.593 - - [R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one 179.14318 8.098 - - (3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene 177.16388 7.309 - - 4,7-Dimethyl-1-tetralone 175.11186 6.884 - - 1,2-Dihydroxy-8-methylnaphthalene 175.07561 5.583 C14084 - hinokitiol 165.09109 9.496 C09904 - 2-Hydroxy-3-phenylpropenoate 165.05492 2.64 C02763 - (1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene 159.11692 6.651 - - guanine 152.057 4.889 C00242 - Hormodirene 149.1326 6.665 - - Sesamol 139.03907 7.776 C10832 - 2-Isopropylphenol 137.09624 6.447 - - o-Cymol 135.11692 9.467 - - Tetralin 133.10135 6.185 C14114 - octahydropyrrolo[1,2-a]pyrimidine 127.12339 1.228 - - 3-Ethyltoluene 121.10142 9.467 C14522 - Cytosine 112.051 1.442 C00380 - 2-OH-C16 :0 Ceramide 554.51468 11.246 - - (3'Z,5'Z)-Celaxanthin 551.42542 10.977 - - 3alpha,20-Dihydroxy-3beta,25-epoxylupane 459.38337 9.849 - - (13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol 427.39411 10.339 - - Comazaphilone C 417.15471 5.762 - - Tashironin 387.18025 6.68 - - Linarionoside A 375.238 5.893 - - Gln Leu Leu 373.24476 5.631 - - 2-amino-1,3,4,5-icosanetetrol 362.32643 7.099 - 122391237 Trixagotriol 325.27377 5.885 - - dehydrohistidyltryptophyldiketopiperazine 322.12891 4.827 - - Phytosphingosine 318.30039 7.773 C12144 - 9-OxoOTrE 293.21121 6.491 - - Axerophthene 271.24229 8.157 - - Gliocladic acid 255.15917 6.112 - - N-Feruloylglycine 252.08693 5.543 C02564 - Heptadecatrienal 249.22153 8.172 C16343 - Norsecoswartzianin 237.1488 5.82 - - 7-hydroxy-L-tryptophan 221.09245 5.071 - - Bitalin A 219.10187 5.747 - - (+)-Vulgraon B 217.19521 6.185 - - (+)-Chamecynenol 205.15886 7.951 - - Penidienone 203.14322 7.126 - - beta-Ionone 193.15874 9.464 C12287 - Nortricycloekasantalic acid 181.1224 6.17 - - 3-tert-Butyl-5-methylcatechol 181.12242 7.044 C03929 - 9,10-Dihydrophenanthrene 181.10122 6.622 - - 3,7-Dimethylguanine 180.0882 5.027 - - cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene 177.09121 7.601 C14083 - beta-fenchocamphorone 167.14313 9.453 - - Jasmone 165.12742 9.475 C08490 - 4-Isopropyl-2-methylphenol 151.11192 5.835 - - Viridiene 147.1169 7.323 - - 2-Indanone 133.06496 10.16 C07727 - 2E,4Z-Octadienal 125.09625 9.952 - - 4-HYDROXY-6-METHYLPYRAN-2-ONE 127.0393 0.879 C02752 - PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) 778.5384 11.202 C00157 - Aralia cerebroside 732.56244 10.206 - - Coproporphyrin I 655.27686 8.497 C05769 - Santene 123.11707 6.599 - - 1-Cyclohexenecarboxylic acid 127.07563 5.674 C12101 - Octylamine 130.15935 5.381 C01740 - N-Benzylformamide 136.07598 5.056 C15561 - trans-2-Octenoic acid 143.10675 7.732 - - 4-Isopropenylbenzaldehyde 147.08058 5.893 - - Lyratal 151.11184 6.68 - - 4-Deoxypyridoxine 154.08646 5.308 - - (-)-Chrysogine 191.08162 5.682 - - Nocapyrone E 193.1227 0.7 - - Kinabalurine G 200.16468 7.9 - - 1,4-Dihydroxy-2-naphthoate 205.04996 5.425 C03657 - H-Leu-Asn-OH 246.14525 5.19 - - (+)-Goniopypyrone 251.09173 5.425 - - Aikupikanyne A 251.17952 7.501 - - Albonoursin 257.12863 6.391 C20520 - L-phenylalanyl-L-proline 263.13957 5.524 - - (E)-Nerolidol acetate 265.21636 6.505 - - 2'-Amino-2'-deoxyadenosine 267.12036 5.981 - - Alliacolide 267.15926 10.517 - - Quinolactacin A 271.14459 7.258 - - (S)-Tetraphyllin A 272.11302 1.442 - - (2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine 274.17652 5.131 C20279 - 9-cis retinol 287.23697 6.593 - - Leu-Val-Gly 288.192 5.514 - - (E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol 289.2527 5.893 - - (11Z)-8,18-methano-retinal 297.22139 7.47 - - Wyethic acid 307.22675 6.495 - - (plusmn)12,13-DiHOME 315.25287 7.601 - - Leu Ala Ile 316.22324 5.704 - - alpha-Zearalanol 323.18508 6.971 C14752 - 4alpha-Hydroxy-18-norgrindelic acid 323.22174 7.606 - - Val Ile Leu 344.25457 5.777 - - Thr Leu Ile 346.2338 5.66 - - Nordercitin 347.13163 5.01 - - His Ala Gln 355.17294 5.835 - - Ile Leu Leu 358.27018 5.864 - - Gln Leu Val 359.22925 5.22 - - 15-HTPE 375.28913 9.526 - - Asp Asn His 385.14735 5.762 - - Arg Val Leu 387.27177 5.19 - - Phe Asn Leu 393.21298 5.762 - - Arg Leu Ile 401.28742 5.366 - - Ser Phe Arg 409.21993 6.52 - - Arg Phe Thr 423.23549 6.526 - - Isoiguesterol 437.30565 6.869 - - Shogasulfonic acid A 439.1423 1.428 - - Trp Ile His 455.24035 8.423 - - Syringylresinol diacetate 503.19185 5.879 - - Phepropeptin A 683.44929 9.423 - - Carriebowmide 881.48414 7.703 - - Integracin C 569.38402 7.484 - - Oogoniol 2 533.38322 11.457 - - Phlomistetraol A 461.36249 10.812 - - His Glu Asn 399.1628 6.418 - - Ponganone VI 397.16473 5.474 - - Pleurogenin 383.24292 5.911 - - (E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol 307.26311 6.534 - - 9-Oxo-10,12-octadecadienoic acid 295.22685 7.309 - - Parahigginic acid 261.14863 7.059 - - 6,7,8-Trimethoxy-2H-1-benzopyran-2-one 237.07563 5.47 - - 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid 191.07041 5.914 C15102 - 4,6,8-Trimethylazulene 171.11693 6.753 - - 1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane 165.16381 9.467 - - 7-Hydroxy-6-methylhepta-3,5-dienal 141.09116 5.689 C18011 - Phloroglucinol 127.03921 5.937 C02183 - 1beta-methylcarbapenem 124.07599 5.674 - - THTC 133.03208 2.099 C11074 - 1-Nitrosonaphthalene 158.06031 5.44 C14788 - Phenalene 167.08562 10.977 - - 3-(3,4-Dihydroxyphenyl)-1-propanol 169.08615 5.278 - - 1,2-Dihydrostilbene 183.11696 7.493 C14685 - L-Anticapsin 200.0921 5.027 C20941 - 6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate 211.13212 4.966 - - Halaminol C 228.23243 8.904 - - Lauramine oxide 230.24808 7.206 - - (1S)-7-Methoxy-1,2-dihydrocadalene 231.17448 6.622 - - alpha-Asp-Ile 247.12904 5.264 - - Phenylalanylserine 253.11869 4.827 - - Leu Lys 260.19714 1.962 - - Glu Leu 261.14479 5.249 - - Leu-Gly-Pro 286.17647 5.146 C01833 - 1-Methylestra-1,3,5(10)-triene-3,17beta-diol 287.20059 6.665 C15315 - Eupomatenoid 3 293.11687 5.455 - - H-ILE-TRP-OH 318.18146 5.602 - - Albocycline M-1 325.2009 5.879 - - Ile Pro Val 328.22331 5.44 - - Cytosporin D 339.21619 7.44 - - Betaenone D 385.25858 6.437 - - Ginkgolide C 441.13931 5.704 C07603 - Herkesterone 495.29467 7.015 - - Formononetin 7-O-glucoside-6''-O-malonate 517.13445 5.966 C16222 - Methyl 2-acetyltormentate 545.38367 9.614 - - Raloxifene 474.17358 5.041 C07228 - 4beta,24S-dihydroxycholesterol 419.3516 9.217 - - 4alpha,14alpha-Dimethylcholesta-8,24-dien-3beta-ol 413.37841 11.663 - - 8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid 385.31021 6.36 - - Phycomysterol A 381.31532 6.682 - - Val Leu Phe 378.23896 5.806 - - Lepidimoide 345.07932 1.682 - - Phyllocoumarin 343.08148 6.025 - - Firocoxib 337.1102 1.442 C18363 - Antibiotic KO 7888B 307.16537 5.747 - - 3-Ketosphingosine 298.27423 8.438 C06121 - Aspartyltyrosine 297.10843 4.827 - - Leuhistin 242.15032 5.196 - - 3,6,9-Trihydroxy-4-megastigmene 229.18004 7.834 - - Pro Ile 229.15497 1.457 - - Donaxaridine 207.11294 5.278 - - Casuarine 206.10252 1.442 - - N6,N6,N6-Trimethyl-L-lysine 189.16017 1.291 C03793 - N2-Acetyl-L-aminoadipate semialdehyde 188.09208 1.472 C12988 - o-Benzoquinone 109.02895 5.01 C02351 - Rubuside H 649.39503 6.389 - - Betuletol 3-glucoside 493.13495 6.228 - - Ilekudinol A 455.3159 6.52 - - Thr Arg Tyr 439.23047 6.083 - - Oxidosenexone 427.35725 11.561 - - Estradiol 17beta-cyclopentylpropionate 397.2739 6.869 C14640 - N,N-Dimethylguanosine 312.12932 5.01 - - 14'-apo-beta-Carotenal 311.23669 6.651 C06734 - Dihydroalbocycline 311.22167 7.47 C15753 - Pipataline 289.21594 8.394 - - Crepenynate 280.23985 9.467 C07289 - Panaxjapyne C 279.19547 7.235 - - Ovalitenin A 279.10197 5.514 - - Anhydrovitamin A1 269.22641 6.622 - - Linolenyl alcohol 265.25267 0.579 - - Lys Leu 260.19718 3.999 - - Valyllysine 246.18146 1.428 - - 5,8-Dihydroxy-14-nor-7-marasmanone 239.16433 6.756 - - L-isoleucyl-L-proline 229.15507 5.249 - - N-Octanoyl-L-homoserine lactone 228.15988 4.903 C21199 - Rumphellolide F 223.16939 8.157 - - Elaeokanine C 212.16469 7.074 C10592 - trans-1,2-Diphenylcyclobutane 209.13267 10.962 C15449 - Bellendine 206.1179 1.09 C10846 - 5-Methylangelicin 201.05492 5.529 C19444 - 4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate 186.11276 5.747 - - Dibenzo-p-dioxin 185.05989 5.937 C07732 - (2S,5S)-trans-Carboxymethylproline 174.07642 1.457 C17366 - Palutropone 173.09628 5.937 - - 3-Methyldioxyindole 164.07076 5.674 C05834 - 1,8-Dimethylnaphthalene 157.10128 7.507 C14703 - Xanthine 153.04098 4.767 C00385 - Soyacerebroside I 714.55179 10.916 - - Haplophytine 653.29722 11.381 C09208 - 1-18:3-lysoPC 518.32447 8.786 - - Kuguacin F 483.31081 6.185 - - Aloenin 411.12777 5.395 - - Micropine 280.22628 8.083 - - 3,3',5,5'-Tetrahydroxy-4-methoxystilbene 275.09143 5.747 - - 11-Methoxyopposit-4(15)-en-1beta-ol 253.21644 6.403 - - 4,4'-(2-Methylpropylidene)bisphenol 243.13818 7.044 C15278 - Viteralone 243.10192 5.491 - - 3-methoxy-5-phenylphenol 201.09132 5.529 - - 6,7,8-Trihydroxycoumarin 195.02922 4.996 - - 4-Methyl-3-oxoadipate 175.06024 7.499 C18312 - 3-Methylmuconolactone 157.04967 7.717 C04558 - Hydroxytyrosol 155.07044 5.689 - - gamma-Terpinene 137.13262 11.41 C09900 - LETESTUIANIN B 371.1492 5.631 - - Glycidyl stearate 341.30491 10.724 C19427 - (-)-Ixerin J 427.19609 5.762 - - (6R,9R)-Roseoside 387.20068 5.879 - - 4-Coumaroylshikimate 321.09725 5.747 C02947 - Mansumbinone 315.26819 7.323 - - N-Malonyltryptophan 291.09762 5.65 - - Gerfelin 291.08633 5.995 - - Annuionone E 227.16434 6.491 - - Phosphinothricin 182.05817 1.291 C04650 - 4-Hydroxyphenylglyoxylate 167.03409 5.704 C03590 - Pterodontoside H 401.25413 5.908 - - Sargaol 395.29449 6.52 - - 5,10-Dihydroxyfurospinulosine 1 387.28943 6.873 - - Afzelechin 5,4'-dimethyl ether 303.12269 5.981 - - Goniothalesdiol A 267.12265 6.694 - - 5-Methoxyresorcinol 141.05477 1.453 - - Andrachcinidine 228.19599 7.822 - - Oxidized Latia luciferin 195.17448 9.952 C03527 - Nitramine 170.15399 9.952 C10163 - Ilekudinoside K 777.44199 5.937 - - Papuaforin D 495.34714 10.192 - - 13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid 415.35708 11.486 - - Pamapimod 407.15287 4.737 - - 4,4'-Diapo-zeta-carotene 405.35187 7.907 C19841 - Ergosta-4,6,8(14),22-tetraen-3-one 393.31534 6.636 - - Dihydrofusarubin 309.09691 6.131 - - Altiloxin A 269.17486 6.774 - - L-Alanyl-L-proline 187.10803 5.22 - - 16-Hydroxyhexadecensaure 271.22695 7.936 - - Merrilliortholactone 317.15943 5.806 - - Barbatol 325.27303 9.187 - - Asp Leu Leu 360.21313 5.718 - - Kaempferol 4'-rhamnoside 433.11305 6.432 - - Okaramine O 539.26542 10.043 - - Suberenone 245.08121 5.704 - - 5-(Heptadec-12-enyl)resorcinol 347.29451 9.82 C10802 - p-Benzoquinone 109.02889 1.456 C00472 - 2-Methylnaphthalene 143.08567 6.753 C14098 - (Z,Z,Z)-3,6,9-Dodecatrien-1-ol 181.15866 9.952 C08375 - Chamazulene 185.13261 7.499 C09633 - Methyl beta-D-galactoside 195.08665 1.457 C03619 - Lactarazulene 197.13264 7.499 - - Spirodysin 277.17978 6.957 - - 2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile 317.08469 5.01 C14893 - Gly Arg Tyr 395.2045 5.937 - - 8'-apo-beta-Carotenol 419.33087 6.622 C06733 - (3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal 449.30525 6.462 - - Vielanin A 507.30987 7.147 - - 4-Guanidinobutanal 130.09764 1.442 C02647 - 5-Hydroxyhexanoic acid 133.08628 5.19 - - 3,4-Dimethoxypropiophenone 195.10185 5.594 - - 2-Hydroxycampholonic acid 201.11239 5.674 - - Anofinic acid 205.08627 5.293 - - Confluentin 327.23188 7.946 - - Bussealin E 331.11786 5.806 - - Dulciol D 337.1071 5.587 - - Indicanine C 351.12283 5.617 - - Rugulosone 379.26334 6.884 - - nor-Spiculoic acid A 395.25822 6.855 - - 6-Oxoisoiguesterin 421.27385 6.876 - - Dehydrobisgravillol 427.28467 6.869 - - Myltaylorione B 435.32602 6.875 - - Isovouacapenol C 439.24797 6.403 - - Arieianal 441.26412 8.786 - - Cumene 121.10143 9.952 C14396 - Phensuximide 190.08647 5.264 C07437 - O-Desmethylnaproxen 217.086 5.995 - - Estrane 247.24206 9.952 C19641 - Asp-Asp 249.07191 1.442 - - (S,S)-traseolide 259.20582 8.125 - - D-Myoinositol 4-phosphate 261.03729 1.457 C03546 - 12-Acetoxyeremophilene 263.20068 7.601 - - Capsi-amide 270.27932 10.145 C17515 - Callytetrayne 277.19517 10.977 - - Obscuraminol A 278.24795 9.04 - - Phe-Asn 280.12944 5.293 - - Xestodecalactone B 281.10201 6.68 - - Lanyuamide I 294.24281 7 - - Embelin 295.19022 11.315 C10342 - Palmitoyl N-Isopropylamide 298.31054 10.977 - - Murraculatin 307.11775 5.587 - - Hexadecanoylpyrrolidine 310.31034 10.753 - - Tofacitinib 313.17763 8.86 - - 3beta-Fluoro-5beta-pregnan-20-one 321.2591 8.04 C14981 - [8]-Gingerol 323.22138 7.243 C17495 - Decylubiquinol 325.23734 7.907 C15495 - 6-cis-Docosenamide 338.34177 11.545 - 44584605 Lys Leu Ser 347.22866 5.631 - - gamma-Eudesmol 11-alpha-L-rhamnoside 369.26282 7.733 - - 2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate 383.27953 8.408 - - 4alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol 429.37306 11.859 - - (-)-10-Methoxyvincamedine N-oxide 455.21725 8.512 - - Vindoline 457.23288 8.972 C01626 - Palythoalone B 497.31098 8.32 - - Okaramine Q 537.25009 10.753 - - Dysinosin D 539.31928 9.025 - - Chichipegenin 475.37891 6.549 - - His Leu Gln 397.22018 6.156 - - 24(28)-Dehydroergosterol 395.33116 10.93 - - Lys Thr His 385.22013 5.85 - - Pro Phe Asn 377.18236 5.293 - - Dercitamide 375.12664 5.234 - - His Gln Gly 341.15737 5.806 - - labd-13-en-8alpha-,15 diol 311.29439 6.593 - - 6,10,14-Trimethyl-2-methylenepentadecanal 281.28491 9.467 - - Damascenone 191.14317 7.586 - - Codlemone 183.17468 1.008 - - N-Methylpelletierine 156.13839 9.467 C06184 - 7-Octene-1,6-diol 145.12248 5.762 - - (+)-Allosedridine 144.13841 6.549 - - Dicranenone A 289.1798 7.09 - - 7-Acetoxy-5,6-dimethoxycoumarin 265.07103 5.733 - - Adriadysiolide 181.08607 6.418 - - 6-O-Methylscorzocreticoside I 463.15995 5.879 - - Apo-10'-zeaxanthinal 393.2789 8.919 - - Glu Glu Ile 390.1878 5.027 - - (22E)-Cholesta-4,6,8(14),22-tetraen-3-one 379.29956 6.636 - - Trp-Ala-Gly 333.15589 5.085 - - (9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid 295.2268 6.665 C04594 - His Ile 269.16105 3.147 - - beta-Alanyl-L-arginine 246.15635 1.398 C05340 - 4-Formylsalicylic acid 167.034 5.995 C14100 - Thymine 127.05044 4.903 C00178 - Crenulatoside C 573.32706 5.864 - - Malonyldaidzin 503.11869 5.587 C16191 - Salvianolic acid G 341.066 5.205 - - Decylubiquinone 323.22165 6.491 C15494 - Suprofen 261.05821 1.501 C07320 - N-(gamma-L-glutamyl)-L-alaninol 205.11854 1.442 - 25202986 Leu-Gly-Gly 246.14509 1.487 - - 3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl 267.17447 6.862 - - Yaretol 309.24243 7.484 - - N-Isobutyl-(2E,4E)-octadecadienamide 336.32613 10.992 - - Docosanamide 340.35735 9.321 - - 4'-Demethylepipodophyllotoxin 401.12331 5.543 C21185 - Amphidinolide B 563.35861 11.829 - - (3R)-3-hydroxy-12'-apo-beta-carotenal 367.26327 8.726 - - bis-(4-hydroxybenzyl)sulfide 247.07868 1.744 - - Brunnein A 245.09232 5.645 - - Cladospolide B 229.14374 7.269 - - tridecane-3,4-dione 213.18512 5.879 - - (2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate 188.05565 1.457 C20258 - 2-Aminoheptanedioic acid 176.09203 2.719 - - Terephthalic acid 167.03401 10.621 C06337 - Glutarate 133.04981 1.465 C00489 - Kermadecin G 513.32045 6.776 - - Colneleic acid 295.22684 8.113 - - 3,4-Methylenedioxymandelic acid 197.04458 7.397 - - Cucumegastigmane I 241.1436 6.039 - - Yunngnin A 251.0556 5.398 - - Zhankuic Acid A Methyl Ester 483.31107 5.893 - - 1-Hydroxy-2-naphthoate 189.05486 5.69 C03203 - Phe Gly 223.10811 5.131 - - Falcarinol 245.19018 6.942 C08450 - 7-Hydroxy-2,4,6-trimethoxy-9,10-dihydrophenanthrene 287.12782 6.462 - - 3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol 339.26829 6.68 C14915 - Leu Val Asp 346.19762 5.16 - - Pluviatolide 357.13329 5.838 C21191 - Glu Val Ile 360.21318 5.47 - - Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside 787.20832 5.704 - - Savinin 353.1017 5.718 C10880 - Cassipourol 295.29978 11.396 - - Andrachcine 256.22731 7.878 - - Dehydroeffusol 251.10724 5.514 - - 1-Acetyl-8-hydroxy-beta-carboline 227.08181 5.645 - - Lachnophyllum ester 177.09139 1.06 C08453 - Toonaciliatin A 489.17561 5.762 - - Revandchinone 1 551.33609 7.309 - - Muscanone 555.36816 6.625 - - Lysopine 219.13418 1.457 C04020 - Cytarabine 244.09297 1.442 C02961 - 9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester 293.24762 8.786 - - 5-Carboxyvanillic acid 213.0396 5.718 C18338 - 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone 349.09218 5.908 - - oleuropein (dialdehyde form) 321.13326 5.981 - - Lecanoric acid 319.08147 5.835 C02868 - 2-Methoxy-1,4-naphthoquinone 189.05497 0.921 - - (R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one 251.09139 5.802 - 54587169 1-O-Oleyl LPA 423.28802 9.816 - - 5-Methoxyxanthocercin A 539.1544 6.127 - - cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside 727.18747 5.718 - - Picramnioside E 509.14479 6.127 - - Sodwanone M 491.37379 10.88 - - Glyasperin H 369.16971 6.68 - - Melampodin B 335.11253 5.952 - - Microminutin 273.07588 6.112 - - Ochratoxin beta 223.06011 5.558 - - Oleandrose 163.09687 5.027 C08237 - Piscrocin E 231.12307 5.514 - - 4,7-Dimethoxy-1-vinyl-beta-carboline 255.11301 5.952 - - 3-Methoxyestra-1,3,5(10),16-tetraene 269.19002 6.869 C15107 - 24-Methylenepollinastanone 411.36224 11.425 - - Myrtucommulone G 679.38373 7.397 - - Tenofovir 288.08479 5.718 C17407 - Coniochaeton A 231.06531 5.933 - - (+)-Epilupinine-N-oxide 186.14903 7.984 - - (Z)-But-2-ene-1,2,3-tricarboxylate 189.03979 4.918 C04225 - 2-Methoxyjuglone 205.04977 0.654 - - 17beta-Amino-5alpha-androstan-11beta-ol 292.26347 9.467 C15356 - Phe-arg 322.18763 4.996 - - Ile Ile Ser 332.21823 5.249 - - Gly Phe Ile 336.1919 5.747 - - 1-Hexadecyl Lysophosphatidic Acid 397.27126 9.526 - - 3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione 349.23735 6.851 C14598 - (1R)-2-Oxo-3,4-dehydroneomajucin 309.09706 5.44 - - Depdecin 229.10743 5.44 - - Ser Ser Ile 306.16621 5.234 - - Tilmacoxib 339.11757 5.116 - - His Ile Asn 383.20405 7.849 - - Ardisiaquinone D 543.29486 5.499 - - Lepidissipyrone 423.14352 4.767 - - Thr Leu Phe 380.21808 5.718 - - Lys Pro His 381.22519 6.403 - - Hydratoperidinin 649.37276 6.607 - - nor-Plakotenin 339.23194 6.622 - - Mearsine 152.10712 1.457 C10158 - Tamarixetin 3-galactoside 479.11822 6.099 - - Haploside A 537.12447 5.41 - - Tecomine 180.13776 5.256 C09988 - Pumiliotoxin 251D 252.23241 8.711 C20031 - Thr Asp Lys 363.18731 4.856 - - Pro Gln His 381.18854 6.097 - - hesperadin 517.22593 5.514 - - (19R,23E)-5beta,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3beta-ol 469.3678 6.432 - - Suberosol 455.38873 8.801 - - Neocyclonervilasterol 439.39287 7.951 - - 10-hydroxy-2E-decenoic acid 187.13306 8.083 - - Propyl cinnamate 191.10716 1.05 C06360 - Fomecin B 183.02892 7.776 - - 3,7-Dimethyl-1,6-octadiene-3,4-diol 171.13802 6.709 - - Stypandrol 431.14915 6.092 C09971 - 4-ISOPROPYLANILINE 136.11239 5.074 - - 1,2-Naphthoquinone 159.0443 5.529 C14783 - DL-Mevalonic acid 149.0812 4.782 - - Pro Asp 231.09751 2.084 - - Moracin P 327.12265 6.01 - - 2-Nitroanisole 154.05003 5.645 C19270 - H-GLU-VAL-OH 247.12908 1.457 - - 6-Hydroxymellein 195.06423 1.306 C02379 - Markogenin 433.33109 8.335 - - Lurasidone 493.26231 5.879 - - C16 Sphinganine 540.53536 11.127 - - beta-Citraurin 433.31051 6.374 C20894 - 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one 363.26851 7.44 C14968 - 4-Hydroxyxanthone 213.05471 5.937 - - Benzylformate 137.05997 0.987 C05613 - (3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol 205.1438 5.23 - - Topsentisterol D1 425.34186 11.619 - - Ser Asp Arg 377.17877 5.455 - - 1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one 197.04459 7.776 - - Polyneuridine-N-oxide 369.18009 7.47 - - Asn Ile Leu 359.22908 5.674 - - zinolol 332.13447 5.027 - - 3-hydroxy-O,5-dimethyl-L-tyrosine 226.10777 5.237 - - Isoscoparin 2''-O-ferulate 639.17075 6.074 - - 7-Ketocholesterol 401.34187 8.157 - - Droserone 205.04986 1.024 C10335 - BETAMIPRON 194.08149 5.297 - - Discadenine 305.17256 6.975 C01804 - Lamtidine 345.24027 9.025 C11804 - Lineolon 365.23195 11.547 - - Deisobutyryl bakkenolide H 337.20136 8.874 - - Dichotomine B 273.08711 5.645 - - Pseudopyronine A 267.1956 7.28 - - Debromosceptrin 463.23036 8.335 - - Flurogestone acetate 407.22272 7.975 C15432 - Methyl (9Z)-6'-oxo-6,5'-diapocaroten-6-oate 393.24214 6.462 - - D-Dopa 198.07637 5.234 - - Lys Val His 383.24087 7.033 - - Reptoside 391.16024 6.778 - - seco-plakortolide K 419.31583 11.695 - - Val Leu Gln 359.22906 4.996 - - Leu-Gln-Pro 357.21361 5.176 - 42641527 Lys Ile Ser 347.22928 4.834 - - Secoisoodorinol 319.20252 8.603 - - Litsenolide C1 311.25822 8.786 - - Thr Gly Ile 290.17139 5.116 - - H-Glu-Lys-OH 276.15557 5.286 - - Guanadrel 214.1554 5.44 C07035 - Bisucaberin 401.23968 5.44 - - Speciosin D 195.0656 5.249 - - Bryonioside G 781.47319 7.323 - - Pictoside A 767.45713 7.426 - - Rubuside E 633.39981 7.951 - - Barringtogenol C 491.37367 7.426 C08931 - Rhabdastrellin E 481.33226 7.413 - - (S)-ATPA 229.11862 5.19 C13733 - 18-Isovaleryloxygrindelic acid 421.29492 7.644 - - Rumphellolide B 253.17994 7.176 - - Butylidenephthalide 189.0913 5.721 C16924 - Dihydropalutropone 175.11188 7.484 - - 1-ethyl-3-[(2S)-2-methylbutyl]piperidine 184.20597 9.952 - 70698122 Phe Ala Leu 350.20758 5.733 - - H-Ile-Tyr-OH 295.16555 5.234 - - 17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol 353.28372 6.705 C14879 - 21-O-Methyltoosendanpentol 521.38399 10.295 - - N-alpha-Acetyl-L-ornithine 175.1081 4.812 - - Mersicarpine 285.15991 8.904 - - Herbimycin B 531.27033 8.934 - - 4,2',4',alpha-Tetrahydroxydihydrochalcone 275.09162 5.455 - - Kahakamide A 379.15002 5.146 - - Tepanone 315.12267 6.975 - - Garcinielliptone FA 423.32589 8.544 - - Foveolin A 493.3891 10.872 - - 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione 349.2372 6.513 C05475 - 7-Methylxanthine 167.05566 1.182 C16353 - 2-Naphthalenesulfonic acid 209.02703 5.47 C16202 - (4S)-4-Hydroxy-L-isoleucine 148.09707 1.457 C20802 - Kaempferol 3-(2''-feruloylglucosyl)-(1->2)-(6''-malonylglucoside) 873.20876 5.733 - - Lys Val Leu 359.26558 5.18 - - Cerasidin 345.13328 6.01 - - H-Ser-Tyr-OH 269.11346 2.253 - - Quercinic acid C 503.37334 10.916 - - (+-)-Perrillic acid 167.1069 5.529 - - 3'-O-Methyldiplacone 439.21235 6.418 - - 8'-Epicleomiscosin A 387.10771 5.543 - - cis-(Homo)3-aconitate 217.07082 7.708 C20582 - Nigellidine 295.14392 5.937 - - Ala-Leu-Leu-Ser 403.25546 5.594 - - Benzo[c]phenanthren-2-ol 245.09528 5.041 - - Avermectin A1b monosaccharide 729.42069 7.441 C11966 - Lys Glu His 413.21529 6.134 - - Ilekudinoside J 811.44743 7.206 - - H-PRO-ALA-OH 187.10795 1.447 - - cis-Acetylacrylate 115.03933 7.475 C07091 - Pelletierine 142.12274 9.952 C06182 - N-Nitrosoproline 145.06095 1.442 C19485 - 4-Methyl-3-oxoadipate-enol-lactone 157.04968 7.162 C18311 - 4-n-Pentylphenol 165.12751 6.611 C14466 - 3-Methylguanine 166.07264 2.215 C02230 - Nalpha-Methylhistidine 170.0928 5.116 C03298 - Capillanol 175.11187 7.717 C17783 - D-Alanyl-D-serine 177.08719 1.442 C19719 - Tecostanine 184.16969 9.467 C09989 - N-Carbamyl-L-glutamate 191.06652 1.472 C05829 - Guanethidine 199.19218 4.842 C07036 - Dodecanamide 200.20108 8.054 C13831 - Pellitorine 224.20091 9.467 - - Acyclovir 226.09375 2.054 C06810 - 4-Heptyloxybenzoic acid 237.14877 6.141 C14274 - D-Octopine 247.14022 1.442 C04137 - 3-Hydroxyhexobarbital 253.11851 5.293 C03068 - Kanosamine 6-phosphate 260.05318 1.413 C12213 - Phe Thr 267.13434 4.918 - - H-TRP-ALA-OH 276.13456 5.278 - - Plumericin 291.08648 5.455 C09796 - Val Leu Ala 302.20771 5.264 - - His Phe 303.14557 4.842 - - H-TRP-ASP-OH 320.12483 5.131 - - Tyr Phe 329.14928 5.47 - - Val Val Leu 330.23884 5.645 - - Thr Val Leu 332.21808 5.674 - - 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one 335.25809 11.322 C14608 - Val Ile Glu 360.21331 5.175 - - Urocortisol 367.24799 11.769 C05472 - Lys Ile Ile 373.28131 5.381 - - Nervosanin A 381.22676 6.141 - 70698018 Sarcostin 383.24278 6.927 C17770 - Thioridazine 5-sulfoxide 387.15498 5.689 - - pre-putrebactin 391.21903 5.09 - - 4,4'-Diapolycopene 401.32023 9.835 C19797 - 4,4'-Diaponeurosporene 403.33626 6.33 C16145 - alcaligin 405.19833 5.131 - - Demethylphylloquinol 439.35737 6.99 C21084 - Flavaprin 503.19145 5.484 - - Lys-Met-Met-Met 540.23464 5.806 - - Puerarin xyloside 549.16054 5.923 C17057 - 2,3-dilinolenoyl-sn-glycerol 613.4819 9.879 - - PG(16:0/12:0) 667.45509 10.295 - - Avermectin B1b monosaccharide 715.40537 7.397 C11965 - Spinasaponin A 795.45265 7.951 C08984 - Isoastragaloside II 827.47903 7.484 C17794 - (19R,23E)-5beta,19-Epoxy-19,25-dimethoxycucurbita-6,23-dien-3beta-ol 501.39438 11.71 - - N-desmethyl loperamide 463.21545 5.677 - - 4'-Methoxy-7-O-[(E)-3-methyl-7-hydroxymethyl-2,6-octadienyl]isoflavone 421.20195 6.403 - - Thonningine B 409.12834 5.923 - - Cetoniacytone A 214.07141 5.056 C17699 - Val Ala 189.12367 2.191 - - Irisoquin 407.31563 10.502 - - Tulipalin B 115.03942 1.487 C21187 - Combretanone E 471.38354 7 - - Phlebotrichin 439.19611 5.908 - - NORMETANEPHRINE 184.09706 5.674 - - 1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN 459.23844 8.98 - - Indocarbazostatin D 513.13961 5.923 - - Dibenzothiophene-5,5-dioxide 217.03237 1.652 C21150 - Protofarrerol 319.11775 5.587 - - 6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid 423.31047 9.098 - - (2E)-20-hydroxyicos-2-enoic acid 327.28957 6.127 - 86289806 (-)-Bestatin 309.18062 5.146 - - Artoindonesianin O 325.1435 7.383 - - 10,13-Dimethyl-11-docosyne-10,13-diol 367.35727 11.308 C15398 - Gymnasterone C 409.31006 6.202 - - Delta(1,7)-dafachronic acid 413.3051 6.476 - - Nigakilactone H 425.21665 7.162 C17032 - 7-Deacetoxy-7alpha,11alpha-dihydroxygedunin 457.22274 8.512 - - depudecin 213.11254 5.514 - - Ciwujianoside D2 1085.55293 7.03 - - Val Arg 274.1875 1.442 - - Ile Val Gly 288.19214 5.012 - - Leu-Asp-Gly 304.15056 4.981 - - Ala Leu Glu 332.18191 5.08 - - Ser Ile Glu 348.17689 5.027 - - His Val Leu 368.2296 5.22 - - Leu-Asp-Gln 375.18767 4.957 - - Arg Glu Leu 417.24633 5.01 - - rubiarboside G 28-al 797.46839 7.338 - - Sandosaponin A 957.50562 6.389 - - Malabaricanol 345.16872 6.156 - - Remangilone A 439.28449 6.869 - - Pseudoginsenoside RT1 949.4769 6.447 - - Cordycepin 274.09067 5.645 C08431 248010 Praeruptorin E 451.17197 5.674 - - 4-Methylumbelliferyl-beta-D-xylopyranoside 331.07954 5.072 - - Tarasaponin VI 787.42427 8.009 - - Moracin O 327.1229 5.616 - 14539883 N-Methylflindersine 242.11815 5.175 C10731 - Pseudolaric Acid C 413.15773 6.389 - - Sauchinone 379.11449 5.605 - 11725801 7-Methoxyflavone 253.08534 1.428 - - Ecliptasaponin A 657.39824 7.25 - - Ethyl pivaloylacetate 195.0992 8.157 - - Apiopaeonoside 483.14801 1.442 - - Obtucarbamate A 261.08456 5.689 - - Bacoside A3 951.49336 7.206 - - Quercetin 3-O-beta-D-(6''-p-coumaroyl)glucopyranosyl(1-->2)-alpha-L-rhamnopyranoside 779.17973 5.704 - - 2-O-Acetyl-20-hydroxyecdysone 545.30893 8.845 - - Lotaustralin 284.11123 5.116 C08334 4626626 N-Benzoyl-(2R,3S)-3-phenylisoserine 303.13397 5.893 - - Ganoderic acid G 555.29311 9.187 - 73657193 beta-Aspartylaspartic acid 231.06142 1.442 - 453623 Colcemid 394.16222 4.996 C11250 2832 Anisomycin 266.13905 5.343 C11281 2199 Dimethyl Citric acid 243.04801 5.16 - - Ailanthone 399.14131 5.529 C08747 - beta-D-Glucopyranosyl abscisate 449.17872 5.66 C15970 46173811 Polyphyllin I 877.45628 7.382 - 11018329 Castanospermine 212.09008 4.842 C02256 2592 Puerarin 6''-O-Xyloside 571.14245 5.923 - - Coniferin 365.12125 5.22 C00761 5280372 Rhodojaponin III 391.20934 6.825 - - Pinoresinol Diglucoside 705.23714 5.351 - - Cinobufotalin 481.22066 8.965 C16932 633297 Norbergenin 337.05302 1.425 - - 2'-Acetylacteoside 689.20519 5.587 - 21629996 Sibiricose A5 541.15299 5.198 - - Bacopasaponin C 921.48221 9.069 - - 3',4',7-Trimethoxyquercetin 367.07941 6.127 - 5748558 6-Methylflavone 237.09072 1.442 - - Crenulatin 271.11536 5.543 - 5316128 Albiflorin 503.15312 5.587 C17457 15558589 Polyphyllin VI 761.40869 6.112 - - Evodiamine 304.14473 5.278 C09187 151289 Diacetoxy-6-gingerdiol 403.20924 6.476 - 143615-75-2 Echinocystic acid 28-O-beta-D-glucoside 657.39813 6.709 - - Helicin 307.07905 1.457 - - Taraxasterol 449.37583 10.635 C08636 610148 Kalii Dehydrographolidi Succinas 555.21971 5.981 - 23685777 Daucosterol 599.42844 10.011 D05848 71628 Prostaglandin E1 377.23001 7.834 C04741 5280723 1,3-Dimethyluracil 158.09267 2.007 - 70122 Calenduloside E 655.38227 6.942 C08964 - Canrenone 363.19336 8.394 D03363 13789 Benzyl benzoate 235.07351 1.291 C12537 2345 4,6-O-Ethylidene-alpha-D-glucose 229.06871 5.44 - 259627 (R,R)-(+)-Hydrobenzoin 237.08931 1.274 C16015 853019 Prostaglandin E2 375.21435 7.601 C00584 5280360 Minoxidil 227.16244 7.162 - - Astilbin 473.10614 5.381 C17449 119258 Arctiin 557.19875 10.547 C16915 100528 5beta-Dihydrocortisol 387.21328 5.85 C05471 164838 Cafestol 339.1933 4.812 C09066 2516 Tributyrin 325.16249 5.82 C13870 6050 Sulindac sulfide 341.10086 5.835 - 5352624 Nitecapone 266.06531 1.623 D03241 5464105 7-Methoxyrosmanol 383.183 6.097 - 9950773 Prosapogenin A 723.43093 6.447 - 4483248 Hexahydrocurcumin 397.16151 5.293 C17826 5318039 Tracheloside 573.19498 5.558 - 53462879 His-Pro 275.11046 4.952 - 152322 (+/-)-Dihydroactinidiolide 203.10449 7.147 - 27209 2,4,6-Trihydroxybenzoic acid 171.02897 1.516 - 66520 Asiaticoside B 997.49765 6.549 - 74962739 Licochalcone B 309.07399 1.291 - 5318999 Cryptotanshinone 279.13762 1.931 - 496348 Xylobiose 305.08519 1.447 C01630 131750922 Framycetin 637.3023 11.186 C01737 8378 Ala-Glu-OH 241.08003 2.456 C20958 128841 Guanidoacetic acid 118.06147 5.293 C00581 763 Glycylproline 173.09226 1.442 - 3013625 2,6-Diaminoheptanedioic acid 173.09231 5.337 C00666 439283 L-Ascorbic acid 159.02905 5.027 C01041 - deoxycarnitine 146.11775 5.293 C01181 725 3-methylglutaconate 167.03149 5.16 - 1551553 N-acetylhistidine 220.06875 5.484 C02997 75619 2'-Deoxycytidine 245.12459 4.903 C00881 13711 L-Xylulose 173.04228 1.413 C00312 89810215 Salidroside 323.11073 5.234 C06046 4961358 1-Methylinosine 305.08603 1.744 - 65095 Thioctic acid 229.03232 4.861 C00725 864 Zeatin riboside 374.14284 4.952 C16431 - N-Acetyl-L-carnosine 269.12364 1.182 - 9903482 Indole-3-carboxylic acid 144.04469 5.293 C19837 69867 Adenosine 250.09388 4.933 C00212 60961 Anserine 223.11972 5.444 C01262 112072 23-Norcholic acid 417.26144 8.711 - 164231498 QUINOXALINE 131.06073 4.842 C18575 - Cer(d18:0/18:0) 568.56671 11.545 - 5283573 Uridine 5'-monophosphate 325.04339 1.977 C00105 6030 Allantoin 159.05049 1.182 C01551 204 Hirsutin 234.09752 1.457 - 9794659 Temozolomide 195.06302 5.689 - 5394 Acetyl tributyl citrate 403.23296 8.245 - 6505 Lumazine 165.03999 1.182 C03212 - gamma-Glutamylmethionine 279.10086 1.546 - 7009567 (E,Z)-2,4-Dodecadiene 167.17956 11.41 - 5365771 PA(13:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 711.42365 10.864 - - Heptulose 275.05276 5.864 - 124823 METHACRYLOYL CHLORIDE 105.01062 1.182 - 13528 Iminoerythrose 4-phosphate 200.03228 1.49 C12215 18439579 (R)-1-O-b-D-glucopyranosyl-1,3-octanediol 309.19127 6.374 - 14213498 PA(i-13:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 687.42326 11.263 - - Uralenneoside 287.07652 1.714 - 53462251 undec-10-enoylcarnitine 328.24833 7.855 - 139947482 PA(13:0/PGE1) 727.41607 10.465 - - 6|A-Hydroxy-7|A-(thiomethyl)spirolactone 405.21031 6.683 - 17904025 Goyaglycoside a 649.43014 6.811 - 131752339 PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-15:0) 751.41596 10.131 - - SM(d18:1/TXB2) 839.55116 10.428 - - PA(i-14:0/PGE2) 739.4164 10.343 - - 27-Norcholestanehexol 455.33729 7.044 - 196302 PE(18:1(12Z)-O(9S,10R)/P-16:0) 716.52289 11.561 - - N-(3-(Dimethylamino)propyl)acrylamide 157.13383 5.205 - 77452 Cadinene 209.22653 11.41 - 34540 Octanedioylcarnitine 318.19023 8.11 - 92036974 1-Isothiocyanato-6-(methylsulfinyl)hexane 206.06636 1.42 - 9815648 PA(20:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 815.51932 11.322 - - MG(0:0/15:0/0:0) 339.25071 7.966 - 537297 Gemopatrilat 379.16869 5.602 - 21715924 Allosamidin 623.27678 10.043 - 13755302 milbemycin alpha5 673.39387 7.323 - - Guanabenz 231.02036 1.442 C07034 5702063 Glycerol glutamate 236.07674 1.457 - - (E)-4-Hexen-1-ol 101.09658 10.753 - 5365589 Metallibure 219.07236 1.374 - 13559 LysoPA(O-18:0/0:0) 425.30284 10.16 - 10432493 Mahanimbinol 334.216 11.875 - 131753005 1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone] 516.47801 10.901 - 129711227 MG(0:0/20:3(5Z,8Z,11Z)/0:0) 403.28216 8.816 - 53480966 Clocinnamox 505.18879 5.828 - 5149020 PA(19:2(10Z,13Z)/6 keto-PGF1alpha) 801.49124 6.825 - - gamma-L-Glutamyl-S-(1-propenyl)-cysteine sulfoxide 307.09615 1.871 - 11174243 Dictyoquinazol C 343.12801 5.66 - 11099949 Etimizol 211.11933 5.031 - 6168 3-(2-Hydroxyethyl)histidine 200.1032 1.442 - 21120587 S-Japonin 337.18259 10.635 - 131751866 PA(16:1(9Z)/18:3(9Z,12Z,15Z)) 669.44838 9.68 - - alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID 187.07163 1.457 C13672 1221 Methanethiosulfonate 112.97171 0.7 - 74768 Ethyl gallate 199.06027 7.805 - 13250 2,8-Dihydroxyadenine 168.05194 4.874 - 92268 Alconil 269.07306 5.952 - - Arginylglutamine 303.17763 1.413 - 7019985 N-Gluconyl ethanolamine phosphate 320.07449 5.131 - 71587802 Prenyl glucoside 249.13379 5.249 C09808 14239303 2-Oxoarginine 174.08768 1.457 C03771 558 N-Palmitoyl Lysine 385.34256 8.867 - 9821462 PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-14:0) 725.43877 9.82 - - N-(4-Amino-2,5-diethoxyphenyl)benzamide 301.15461 5.66 - - (9Z,12Z)-3-Hydroxyhexadecadienoylcarnitine 412.30562 7 - 71464484 Aspartyl-Histidine 271.10386 5.01 - 14717808 Alanylhydroxyproline 203.10276 5.249 - 20190533 N-Stearoyl Alanine 356.31629 8.482 - 9841600 4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphate 337.05842 5.455 - 124202066 Dihydroalprenolol 252.19627 5.41 - 43216 Aspartylhydroxyproline 247.09254 5.249 - 132990981 CPA(16:0/0:0) 393.24009 9.467 - 9801940 3-(4-Methyl-3-pentenyl)thiophene 167.0898 5.01 - 566107 METALDEHYDE 177.11232 6.363 C18744 61021 6-Hydrazinylnicotinamide 153.07621 4.797 - 11636833 N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamine 315.19209 5.249 - - PA(8:0/i-12:0) 481.29297 9.217 - 131822341 gamma-Glutamylaspartic acid 263.08755 1.472 - 161197 Glutamylthreonine 249.10822 1.457 - 6998031 Metomidate 231.11304 5.535 - - Valylasparagine 232.12933 2.108 - 7020200 PE-NMe(16:1(9Z)/15:0) 690.50642 9.467 - 131820178 DG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/0:0) 615.49854 11.007 - 53478163 1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid 261.08746 5.44 - 151564 1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate 719.46257 11.516 - 12894949 PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:1(13Z)) 847.51035 8.574 - - Asparaginyl-Lysine 261.1559 1.442 - 21451266 N6-Galacturonyl-L-lysine 323.14552 1.457 - 131751374 H-D-Tyr-val-gly-OH 338.17113 5.264 - 14213629 MG(0:0/20:0/0:0) 409.32906 11.516 - 537294 5-Hydroxymethyl-4-methyluracil 157.06106 1.442 - 8983 6-Guanidino-2-oxocaproic acid 188.10324 1.916 - 13154346 Flunarizine 405.21319 5.427 - 941361 Methyl methanethiosulfonate 126.98726 1.026 - 18064 Lysylvaline 246.1816 5.116 - 6992341 alpha-Tocopherol succinate 531.40486 11.381 - 425400 1,4-Undecadiene 153.16389 11.41 - 5358328 Octaethyleneglycol monododecyl ether 539.41515 9.187 - 123921 PGP(i-19:0/20:3(5Z,8Z,14Z)-O(11S,12R)) 909.52565 7.309 - - Sulindac 357.09494 5.879 C01531 1548887 EPIISOPILOTURINE 287.13877 5.718 - - LysoPE(0:0/18:3(9Z,12Z,15Z)) 476.27758 7.405 - 53480928 Chlorogenoquinone 353.08678 5.923 - 131750865 MG(20:2(11Z,14Z)/0:0/0:0) 383.31564 7.235 - 53480983 MG(22:2(13Z,16Z)/0:0/0:0) 411.34733 11.501 - 53480991 7-Methoxy-1,2,3,4-tetrahydroacridin-9-amine 229.13375 6.403 - 119053 L-2,3-Dihydrodipicolinate 170.04509 1.786 C03340 17 4-Methylcatechol 1-glucuronide 301.09092 6.01 - - 3-Methylsulfinylpropyl isothiocyanate 164.01947 1.182 - 10455 PA(20:3(8Z,11Z,14Z)-2OH(5,6)/14:0) 725.43689 11.231 - - N2-(3-Hydroxysuccinoyl)arginine 291.13009 1.866 - 86250757 Hexosylsphingosine 478.33794 8.74 - - gamma-Glutamyldopa 327.119 4.981 - 9973630 Therafectin 306.19151 5.458 - 2158 Isoferuloyl C1-glucuronide 371.09743 5.923 - 131753197 1,4-Diphenethylpiperazine 295.2177 7.515 - 200007 Flumezapine 331.13886 5.946 - 135413528 L-Acetopine 233.12451 1.413 - 22675590 Decarbamoylneosaxitoxin 273.13107 5.762 - 73001424 Hydroxyethylflurazepam 404.15289 5.1 - - MG(0:0/18:1(9Z)/0:0) 379.28197 10.116 - 5319879 Prolyl-Methionine 247.11165 5.108 - 5233577 N-Linoleoyl Glutamic acid 410.28922 6.782 - 73717686 4-Hydroxycrotonic acid 103.03954 0.863 - 6155526 SM(d17:1/TXB2) 803.55474 10.842 - - Diaminobutyric acid 119.08202 1.977 - 21864360 PE(18:2(10E,12Z)+=O(9)/P-16:0) 714.50767 9.835 - - 3-Phenyl-1H-pyrazole-4-carbaldehyde 173.07126 4.874 - 291816 3,4-Dicaffeoyl-1,5-quinolactone 499.12434 5.718 - 102177109 5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine 350.14465 6.083 - - Phaeophorbide b 607.25527 9.511 - - 5-Hydroxyisourate 185.02982 1.182 C11821 101957720 Dehydrophthalocyanine 513.15801 5.835 - 129638085 LysoPA(i-22:0/0:0) 495.34475 11.246 - 131821855 LysoPS(18:2(9Z,12Z)/0:0) 522.28311 8.816 - 52926279 Lemborexant 411.16316 5.425 - 76469283 Succinimidyl acetate 158.04504 2.131 - 84460 PA(20:1(11Z)/PGF1alpha) 803.5434 10.621 - - Heptane-1-thiol 133.10556 5.234 - 15422 MG(0:0/19:0/0:0) 395.31359 11.127 - 46932505 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline 203.04026 1.182 C12248 101957722 Glycerylmonooleate 371.27954 7.28 - 73657505 4alpha-Phorbol 12,13-didecanoate 673.4671 11.142 - 537379 1,9-Dideoxyforskolin 379.24871 5.056 - 1341 2-Acetylisonicotinohydrazide 180.07721 4.966 - 20976742 Garcinia acid 209.0297 1.182 - - (S)-9-Hydroxy-10-undecenoic acid 201.14876 7.975 - 10465398 4-Oxo-2-azetidinecarboxylic acid 116.03467 1.457 - 3488064 Asparaginyl-Serine 220.0929 1.428 - 18218185 PA(10:0/PGF1alpha) 687.38509 10.07 - - Erythro-5-hydroxy-L-lysinium(1+) 164.11535 1.024 - 6994839 3-(3-Amino-3-carboxypropyl)uridine 346.12464 2.054 - 171198 PA(14:0/20:5(5Z,8Z,11Z,14Z,17Z)) 689.41432 11.56 - 52929513 PI(22:2(13Z,16Z)/PGF1alpha) 991.61134 8.726 - - 4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid sulfate 307.0479 4.714 - - 3-Pentadecylphenol 305.28463 9.996 - 68146 Serylvalylglycylglutamic acid 391.18138 5.041 - 18744842 Tyrosylglycine 239.10294 4.767 - 7021853 Nigellimine N-oxide 220.09706 5.762 - 14101166 PA(5-iso PGF2VI/P-16:0) 703.45466 11.643 - - Erosnin 321.03987 1.744 - 5317189 8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3-diol 351.09279 4.905 - 159916 Glycylhydroxyproline 189.08696 5.308 - 11862107 Pectenotoxin 7 889.45872 6.622 - 131751289 10-alpha-methoxy-9,10-dihydrolysergol 287.17549 5.806 - 107927 Val-pro-pro 312.19207 4.933 - 18232492 Prolyl-Arginine 272.17182 1.442 - 9814075 MG(0:0/18:3(6Z,9Z,12Z)/0:0) 375.25071 8.994 - 11646044 Cinchophen 250.08649 8.83 - 8593 (all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol 187.11191 6.753 - 131752390 PA(i-12:0/i-19:0) 635.46513 11.904 - 131822444 (2E)-4-Hydroxy-3-methylpent-2-enedioylcarnitine 304.13888 5.381 - - 2-(p-Aminobenzamido)pyridine 214.09808 5.322 - 81976 8-Azabicyclo[3.2.1]octane 112.11257 1.198 - 136097 Cilostamide 343.20127 6.336 - - 4,6-Heneicosanedione 325.31022 10.369 - 131751805 Amifloxacin 335.15163 8.172 - 55492 Glutamylaspartic acid 263.08765 2.377 - 99716 Benzofuran ketone 145.02849 6.127 - 129724604 5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid 199.09672 1.026 - 131751117 2,6-Dimethylbenzenethiol 139.05848 1.442 - 61045 Descyclopropyl Abacavir 247.13065 7.844 - 357075 N-Acetylkynurenine 251.10289 5.22 - 54201144 N-(1-Deoxy-1-fructosyl)alanine 252.10795 1.442 - 101039147 N1,N8-Diacetylspermidine 230.18669 5.455 - 389613 Ne,Ne dimethyllysine 175.14441 4.737 C05545 4478779 3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid 543.40463 10.856 - 131751180 Caffeic acid 4-O-glucuronide 357.08189 5.729 - 25171780 Methionyl-Aspartate 265.08552 2.161 - 17900030 Malonylglycine 219.06141 1.457 - 15909779 Phenylalanyl-prolyl-arginine 419.24058 7.141 - 21151249 Avocadyne 2-acetate 327.25276 11.113 - 71694412 Alanylthreonine 191.10287 1.442 - 6427004 1,2,8-Trihydroxy-3-methylanthraquinone 271.06025 6.156 C10379 442759 DG(5-iso PGF2VI/16:0/0:0) 661.46513 10.798 - - Deoxycorticosterone sulfate 411.1834 11.867 - 73744588 Methyl 1-(2-propenylsulfinyl)propyl disulfide 211.02798 5.689 - 85752103 1,2,3-Triazine, 4-phenyl- 158.07101 4.797 - 11321095 1-(2-Thienyl)-1-butanone 155.05346 5.19 - 79248 Octacosanoylcarnitine 568.53024 11.678 - - Glycine glutamate 221.07701 1.442 - - Hexaethylene glycol 283.17567 5.308 - 17472 3-Fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile 285.05798 5.606 - 9838729 21-Fluoro-16-ethyl-19-norprogesterone 347.23824 5.683 - 14058558 3-(Hydroxymethyl)-5,5-diphenylimidazolidine-2,4-dione 283.10768 5.966 - 161366 5-Acetylamino-6-formylamino-3-methyluracil 227.07675 1.182 C16365 108214 Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- 301.05072 6.258 - 12904 Ethyl 3-(methylthio)butanoate 163.07969 2.069 - 22213645 Hydroxyprolyl-Asparagine 246.10865 1.479 - 61158096 alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol 349.18369 5.366 - 108046 8-Chlorotheophylline 215.03214 1.291 - 10661 4,8-Dimethylquinoline 158.09666 5.249 - 34222 N2-Succinyl-L-ornithine 233.11317 6.927 C03415 127370 (+/-)-2-(1-Methylpropyl)-4,6-dinitrophenol 241.08199 1.442 C14302 6950 4-Morpholinopyridine 165.10218 6.628 - 4145413 Hydroxysintaxanthin 5,6-epoxide 463.32106 6.782 - 131752541 (S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside 335.1092 4.952 - 131750866 3-Oxotetradecanoic acid 243.19577 10.199 - - 3-Cyclohexyl-1-propylsulfonic acid 222.11641 5.455 - - PA(16:1(9Z)/18:1(12Z)-2OH(9,10)) 727.45266 11.51 - - Kaempferol 7-arabinoside 419.09744 5.602 - 74978066 Nopalinic acid 263.12402 1.457 C01683 4474580 Uridine 2',3'-cyclic phosphate 307.03269 1.901 C02355 439715 MG(0:0/18:2(9Z,12Z)/0:0) 377.26625 9.599 - 5365676 2-Fluoro-5-hydroxy-L-phenylalanine 200.071 5.308 - 14211589 (all-E)-1,7,9-Heptadecatriene-11,13,15-triyne 223.14825 6.636 - 14409592 8-Oxoguanine 166.03522 1.182 C20155 119315 Glutamylarginine 304.16118 1.412 - 9796450 DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/0:0) 637.48067 11.261 - 53478148 1-Hexadecanethiol 259.24549 10.295 - - 2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 242.06623 5.011 - 14893473 Starch acetate 307.10288 5.66 - 19958317 Methylene diphosphate 208.96155 1.322 - 10262446 Allobarbital 209.09244 4.877 - 5842 Vanillic acid 4-beta-D-glucoside 331.10206 5.747 - - 1,11-Tridecadiene 181.19518 11.41 - 5363398 DG(i-14:0/0:0/PGE2) 637.46741 10.798 - - Tricin 7-[p-coumaroyl-(->2)-glucuronyl-(1->2)-glucuronide] 829.18238 5.645 - 131752753 Ambrein 429.4097 9.002 - 550526 Lysyl-Gamma-glutamate 275.17171 4.903 - 131750776 (+/-)-2-Methylthiazolidine 104.05342 2.099 - 32196 AS 1-5 716.5672 11.501 - 131751332 Dithiobiuret 135.99993 1.182 - 10933 Spironolactone 417.20997 6.233 C07310 5833 Neryl propionate 211.16965 1.042 - 5365982 Sakacin A 289.1874 5.131 - 382302 Cbhcy 236.09563 5.516 - 3518587 Oroxylin A glucoronide 461.10823 5.41 - 14655551 MG(0:0/22:0/0:0) 437.36042 9.254 - 121658 Methyl 1-(methylsulfinyl)propyl disulfide 185.01179 1.202 - 14704626 1-(3-Aminopropyl)-2-pyrrolidone 143.11817 5.234 - - PA(10:0/10:0(3-OH)) 497.28781 9.557 - - PGP(15:0/14:0) 761.43647 6.738 - - Ficiolide E 329.15966 8.245 - - Cyclo(Ala-Ile) 185.12882 5.116 - - 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol 775.53584 10.916 C13871 - PA(i-19:0/12:0(3-OH)) 651.46014 11.889 - - Asperitaconic acid B 273.13282 5.543 - - N-(3-O-phospho-D-ribulosyl)-cadaverine 315.13069 5.185 - - STIGMASTA-4,22-DIEN-3-ONE 433.34459 8.291 - - ophiocordin 573.14795 5.923 - - Gitoxin 803.41896 6.607 C08866 - Celastrol 473.26684 8.934 - - 8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one 315.12032 6.727 - - (9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acid 335.21931 8.155 - - (2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one 237.11007 5.791 - - NEROL 172.16969 7.265 C09871 - PSEUDO-ANISATIN 337.10478 6.994 - - Lagochilin 379.24547 7.338 - - Xanthopterin 180.05079 1.182 - - 4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol 334.27367 6.898 - - tetradec-5-ynoic acid 242.21159 6.767 - - (Z)-2-octylpent-2-enedioic acid 265.14126 7.044 - - Menthol 174.18556 5.381 - - Emodin 288.08734 1.6 C10343 - SINAPIC ACID METHYL ETHER 261.07379 5.835 - - Methyl Orsellinate 205.04725 1.442 - - (2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide 334.31047 8.83 - - 3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE delta-LACTONE 343.18802 7.176 - - 16-Heptadecyne-1,2,4-triol 323.19837 7.644 - - Triacetin 241.06845 5.893 D00384 5541 Nonaethylene glycol 437.23645 5.47 - 4867 Decaethylene glycol 481.26243 5.514 - 79689 Triglyme 179.12873 4.982 - 8189 Harmol 199.08696 5.44 - - N-Fructosyl tyrosine 344.13422 1.931 - - Ormosanine 318.29061 7.907 - - Erucifoline 350.15975 5.777 - 76308652 1,3-DIMETHYLURIC ACID 197.06724 5.689 - - Ophthalmic acid 290.13498 1.457 - - AICA-riboside 259.10386 1.823 - - Uric acid 169.03483 1.182 C00366 - S-succinylcysteine 238.03827 1.457 - - 2-(Propan-2-yl)-9H-thioxanthen-9-one 255.08425 6.156 - 79633 Azacyclotridecan-2-one 198.18532 9.467 - 13690 Buturon 237.07952 0.595 C19074 19587 Etofylline 225.09756 1.182 D07933 1892 Senecionine 336.18032 5.816 C06176 - O-Succinylhomoserine 220.08188 1.465 C01118 - Abietic acid 303.23183 0.863 C06087 - Rifabutin 847.4479 5.879 C07235 - Allantoic acid 177.061 1.182 C00499 - 5-beta-Androstane-3-alpha,17-beta-diol 257.2263 7.313 - - Flucytosine 130.04206 1.182 D00323 3366 PHOSPHOCHOLINE 184.07345 9.587 - - Methiocarb-sulfoxide 242.08482 5.01 - 17521 Norfloxacin 320.14041 5.116 C06687 4539 Planaic acid 495.23443 5.747 - - Caperatic acid 425.25132 6.258 - - Bourgeanic acid 409.29249 6.931 - - 2-Amino-5-chlorobenzoxazole 169.01678 1.182 C13841 - Makaluvamine A 203.10438 6.374 - - Digitoxin 787.42414 7.455 C06955 - 4-Acetamido-5-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentanoic acid 331.12547 5.168 - - Dinactin 787.46078 8.291 - - Nonactin 759.42906 6.738 C11186 - Blonanserin 368.24974 7.118 - - Denticulatin B 419.27716 9.233 - - Melamine 149.05464 1.182 C08737 7955 Irbesartan 429.24066 8.679 C07469 3749 Methyl pheophorbide a 607.29192 11.157 - - minocycline 458.19152 5.146 C07225 - Asn-Leu-Leu-Ser 446.26137 5.249 - - Plakorsin B 351.28912 6.578 - - Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside 919.2503 5.631 - - Kaempferol 3-(6G-malonylneohesperidoside) 681.16626 6.057 - - 5'-methoxyhydnocarpin-D 495.12892 5.923 C11162 12051137 Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside 421.13438 4.999 - - Ala-Leu-Val-Ser 389.23973 5.529 - - 9-(alpha-D-glucosyl)dihydrozeatin 384.18835 4.966 - - Allopatuletin 333.0606 5.56 - - N-Cyclohexanecarbonyltetradecylamine 324.32622 11.157 - - Di-n-decyl phthalate 447.34701 10.251 C14505 - Asn Thr His 371.1682 5.791 - - Achillamide 349.1394 5.674 - - Brachystemidine B 307.12889 5.631 - - Pseudoprotodioscin 1031.54179 7.712 C17469 - N-Methylethanolamine phosphate 156.04236 1.369 C01210 - (3R)-6-Hydroxy-3-isopropenyl-heptanoate 187.13307 0.631 C11404 - Achaetolide 301.2014 9.614 - - 19(E)-18-demethoxygardfloramine 367.16516 7.221 - 70697935 Pteroside Q 413.17973 5.864 - - Sagitol 391.12206 4.981 - - Bakankoside 358.1498 2.184 C09914 - Pibocin B 349.09006 5.674 - - N1-(2-Hydroxyethyl)flurazepam 333.07939 3.581 - - Skimmin 325.09216 5.19 - - Tazarotenic acid 324.10582 5.44 C21518 - trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid 185.11759 5.205 - - Acetylagmatine 173.14005 5.381 C02131 - 1,8-Diazacyclotetradecane-2,9-dione 227.17545 5.543 C04277 - Prolyl-tyrosine 279.13426 5.056 - - Asn-Tyr 296.12433 1.453 - 9900771 Thr-Trp 306.14529 5.131 - - gamma-Glutamyltyrosine 311.12386 3.201 - - Clotrimazole 345.11615 5.602 C06922 - Milbemectin 529.31596 7.703 C18557 - Lysidicichin 471.12903 5.234 - - Artonin P 449.12345 6.513 - - 4beta-Hydroxycholesterol 403.35725 9.277 - - Dalspinin 329.06579 5.718 - - (+)-Prosopinine 314.26901 7.118 C10167 - L-Pyrrolysine 256.16596 5.131 C16138 - Taumycin B 535.33797 8.904 - - Methyl tumonoate A 354.26446 6.796 - - Lanceolatin C 295.09668 5.682 - - 1,6-Dimethoxypyrene 263.10676 7.044 C18260 - Radicamine A 256.11834 5.131 - - Phellodendroside 519.18692 5.747 - - Turraflorin G 497.25385 6.447 - - Spicatolide A 397.14909 5.66 - - agrocinopine B 393.08009 5.322 - 86289956 4-O-feruloyl-D-quinic acid 369.11833 5.499 - - beta-L-Fucose 1-phosphate 245.04257 5.514 C02985 - 1,3,5-Trihydroxyxanthone 245.04485 5.175 C10094 - Gelsemide 213.07523 1.322 - - 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate 373.18385 5.455 C14955 - Platycarpanetin 7-O-glucoside 505.13433 5.893 - - 3'-Hydroxy rocagloic acid 495.16443 5.893 - - Rubinaphthin B 485.16476 5.366 - - 2,3,9-Trimethoxypterocarpan 315.12269 6.418 - - Guavacoumaric acid 635.39509 7.717 - - Indole-3-acetyl-beta-1-D-glucoside 338.1235 5.293 C04197 - Allylestrenol 301.25213 9.996 C12811 - 3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol 299.23694 6.567 C15117 - selenoneine 277.03228 1.472 - - (+)-Butalactin 243.08534 5.255 - - (2Z,4Z)-2-Hydroxyhexa-2,4-dienoate 130.06138 1.428 C20240 - 11,15-Epoxy-3(20)-phytene-1,2-diol 327.28956 10.325 - - 9-phenanthryl hydrogen sulfate 275.03769 4.813 - - Phomonitroester 240.08707 5.22 - - Dendronobilin M 301.16407 10.206 - - His Lys Leu 397.25621 7.532 - - Fomlactone A 527.37343 7.088 - - Huperzine W 236.16492 5.44 - - (+)-Clavicoronic acid 263.12826 5.381 - - Bengamide E 359.21709 8.859 - - Erythroxyloside B 491.17648 5.44 - - PIRFENIDONE 186.09159 5.667 - - Volkenin 288.10791 5.322 C08344 - Millettocalyxin A 327.08722 5.455 - - 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione 347.20217 5.146 C15079 - Stansioside 361.14843 4.981 - - Neurodazine 457.13211 4.889 - - Physalin II 543.22298 6.127 - - ent-Alpinnanin B 551.24273 7.65 - - Physalin V 555.22303 6.127 - - Thielavin B 567.22155 6.214 - - Hyacinthacine C1 220.11822 1.457 - - N-decanoylglycine 230.17582 5.417 - - Mimosamycin 234.07637 5.543 - - O-methylmalonylcarnitine 262.12882 5.134 - - Juvenile hormone III 267.19559 6.622 C09694 - Coumarleucasin 279.0866 5.747 - - Limazepine A 289.11809 5.116 - - Leonurine 312.15461 5.131 C16985 - dopaol beta-D-glucoside 317.12308 5.747 - - Ungiminorine 318.13389 5.612 - - Hippeastidine 320.18594 4.889 - - Salbostatin 322.14931 5.205 C17698 - Terezine B 323.16026 5.706 - - 5,5'-Dehydrodivanillate 335.07608 5.923 C18347 - Nitrovin 361.08846 4.878 C19487 - Arg Phe Ala 393.22486 6.884 - - 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone 399.10726 5.85 - - Ovalene 399.1171 5.645 - - Tris(butoxyethyl)phosphate 399.25083 7.922 C14446 - Diacarnoxide C 409.33152 10.339 - - Reduced FMN 459.12771 5.44 C01847 - LysoPE(20:4) 502.29309 8.904 - - 2,3-dihydro-3beta-methoxy withaferin A 503.30084 6.201 - 10767792 Sodwanone L 507.36829 6.665 - - Acalyphin 361.12349 5.16 C08324 - 1-O-Galloyl-beta-D-glucose 333.08203 4.903 C01158 - Betulinan A 321.11178 5.572 - - 2'-Deoxymugineic acid 305.13469 1.442 C15485 - Delbine 246.07628 5.294 - - 3-Hydroxy-5-oxohexanoate 148.07186 1.442 C16272 - Chokol G 185.15386 0.89 - - Eicosanedioic acid 343.28426 6.025 - - H-TYR-GLN-OH 310.14012 4.827 - - Kaempferol 3-(6''-malonylglucoside)-7-glucoside 697.16157 5.308 - - Kadsuphilol L 607.21687 11.157 - - Apiin 565.15575 5.733 C04858 - Val Phe Phe 412.2231 5.867 - - Naucleidinal 427.19653 11.8 - - Lonchocarpene 323.16366 4.903 - - Posoquenin 259.08067 4.966 - - Abacavir 287.16244 8.184 C07624 - Isobiflorin 355.10267 5.22 - - Sicanatriol 7beta,18-diacetate 405.26375 10.916 - - Cyrmenin A 407.25409 11.322 - - beta-TOXICAROL 411.14381 5.984 - - Sinulaflexiolide C 427.23233 6.411 - - 19-Demethylreblastatin 535.30119 10.206 - - Gigasol 571.21794 5.041 - - Aurin 291.10129 6.045 C14213 - Asp-Val-Val-Val 431.25059 5.499 - - Glu-Leu-Phe-Ala 479.24955 5.762 - - Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside) 741.20243 6.039 - - Bouchardatine 290.09322 5.205 - - Dihydrocitrinone 267.08633 5.543 - - Crispine A 234.14906 5.44 - - Amphorogynine D 172.09699 5.631 - - ACENAPHTHYLENE 153.06988 6.622 - - Bisdemethoxycurcumin 309.11238 5.602 C17743 - Hydroxymatairesinol 375.14342 5.751 - - Asp Glu Arg 419.18936 5.514 - - Cratoxyarborequinone A 719.32073 9.113 - - Ethyl 3-(methylthio)propionate 149.06405 1.901 - - Leucocyanidin 4'-methylether 3-O-beta-D-galactopyranoside 483.15005 5.733 - - Pharacine 441.15506 5.704 - - (3S,4R)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane 237.11287 5.337 - - Sinapic acid ethyl ester 253.10728 5.425 - - (2E)-hexenedioylcarnitine 288.14415 5.499 - - Arg Val Phe 421.25583 5.293 - - Tetracentronside A 497.16543 5.879 - - Sulfamethazine 279.09061 1.447 C19530 - Malachite green 365.17737 8.172 C18367 - isovitexin 7-O-[isoferuloyl]-glucoside 771.21322 5.995 - 71728415 Leu Lys Phe 407.26549 5.484 - - Ervahanine A 675.39041 6.723 - - 1,4-Dimethylphenanthrene 207.11693 6.622 C19407 - (-)-2,3-Dihydrocitromycin 249.07619 5.131 - - Ficuseptamine A 266.17502 5.41 - - N-Benzoyl-D-arginine 279.14455 6.756 C03001 - Stemofuran K 283.13341 6.156 - - Bisphenol A bis(2-hydroxyethyl)ether 317.17407 8.098 C14347 - Ginkgetin 567.12822 6.049 C10048 - Slaframine 199.14418 5.645 C06185 - trichagmalin C 671.30713 9.217 - 91825562 Difloxacin 400.14653 4.692 C11234 - (E)-2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone 282.18488 11.754 - - Val Thr Gln 347.1926 5.249 - - Glaucarubin 497.23775 5.924 C08760 - Circinamide 387.26048 5.455 - - 19-norcholesta-1,3,5(10)-trien-3-ol 369.31537 10.236 - 13990469 Mitomycin A 350.13441 5.908 C21161 - 1-Nitroaknadinine 405.16512 5.514 - - Deoxyloganin 375.16453 5.337 C06071 - Daldinone B 349.07117 2.562 - - 4,5-Dihydromelampodin B 337.12865 5.351 - - (-)-Blestriarene C 479.14904 5.543 - - Benzo[b]naphtho[2,1-d]thiophene 235.05719 1.306 C20124 - 1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one 243.12308 5.19 - - 4,4'-Dimethylangelicin 215.07064 5.395 C19404 - Mompain 223.02474 1.322 - - Galactitol 1-phosphate 263.05302 1.442 C06311 - Caerulomycin I 260.10287 5.205 - - Eremofortin E 336.1443 5.616 - - Lamiol 379.16069 5.351 - - Limazepine D 271.10799 5.337 - - 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone 377.08698 5.366 - - Vilmoridine 404.20685 6.686 - - DTrE 335.29445 7.668 - - Pregnan-21-al 303.269 9.467 C00891 - Methyl [6]-paradol 293.21122 0.758 - - Cer(d18:0/12:0) 484.4727 10.16 - - Pentamidine 341.19741 10.443 C07420 - Asp His Phe 418.17117 5.041 - - Canagliflozin 445.147 5.955 - - Armillane 421.22226 8.482 - - 2,6-dimethoxybenzoylsalicylhydrazide 317.11326 5.337 - - 6-Nonadecynoic acid 295.2633 10.916 - - Plakinic acid F 379.28423 8.845 - - Neoisoliquiritin 419.13274 5.85 - - His His Lys 421.22975 5.41 - - Leptofuranin D 525.3577 6.505 - - 2,2'-Dithiobis(pyridine N-oxide) 253.01039 1.307 - - Phe Phe Lys 441.25004 5.522 - - Taraxacine B 243.0768 5.44 - - Brachystemidine C 323.12415 5.264 - - Ophiopogonanone D 385.12783 5.572 - - RHODOTORULIC ACID 345.17674 4.842 - - Leu Ala Lys 331.2343 4.889 - - Peramivir 329.21878 4.874 - - (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid 275.10298 5.071 - 119058147 Chandrananimycin A 271.07167 5.44 - - Abbeymycin 249.1237 4.918 - - 3-acetamino-6-isobutyl-2,5-dioxopiperazine 228.1346 5.16 - - 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol 226.11869 5.19 C19603 - Propanoylagmatine 187.15578 1.306 C02581 - Lys Val Phe 393.24985 4.812 - - Arg Ile Leu 401.28762 8.291 - - Myxopyronin B 432.23816 6.68 - - Astragaloside V 947.5216 6.811 C17800 - quadranoside IV 651.41104 6.869 - - 3-Chloro-L-tyrosine 216.04151 1.182 - - Riccionidin A 286.04676 6.258 C08728 - Hapalindole G 339.16256 10.101 - - 8-O-Tigloyldiderroside 258.1125 6.287 - - L-Metanephrine 198.11274 5.85 C05588 - N'-Nitrosoanatabine 190.09799 5.381 C19478 - 3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone 309.07578 6.127 - - Trp Met His 473.19751 8.965 - - Tyr Phe Trp 515.22916 6.101 - - L-2-aminodecanoate 188.16478 5.602 - - Dinex 267.09776 4.537 C19038 - 2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol 296.13369 1.442 - - Jayantinin 351.08656 5.543 - - Calyflorenone A 661.26362 8.291 - - (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid 229.09749 5.656 - 119058155 (-)-Stephabinamine 358.16429 8.32 - - C-2 Ceramide 342.30025 8.23 - - 4-Nitrosobiphenyl 184.07599 5.645 C20316 - Piperphilippinin II 343.11793 5.564 - - 1-heptadecylglycerone 3-phosphate 409.27179 9.541 - 86289251 Microlepin 499.32582 8.74 - - Nassauvirevolutin A 397.23696 8.801 - - N-Methyl-2-oxoglutaramate 160.06089 1.457 C03623 - Thymine dimer 253.09239 1.182 - - Dehydrorabelomycin 321.07586 2.116 C12390 - Ascorbigen A 306.09785 5.22 - - Asp-Val 233.11331 3.243 - - 2,4-Bis(1-phenylethyl)phenol 303.17526 5.109 - - Tyr Leu Val 394.23395 5.447 - - Piscerythrinetin 383.14891 5.725 - - Caffeic acid 3-glucoside 343.1028 5.175 C10431 - (+)-Sarodesmine 459.24834 9.541 - - 2,4-Dinitrophenylhydrazine 199.04549 1.182 C11283 - Phenylacetylglycine dimethylamide 221.12868 5.293 C12958 - 2'-Deoxyinosine-5'-monophosphate 333.0587 5.01 - - Pyriferine C 337.13975 5.417 - - Glu Trp Val 433.20839 4.933 - - Kaempferol 3-caffeylsophoroside 773.19271 5.616 - - Terezine A 275.139 6.287 - - (R)-(Homo)2-citrate 221.06596 1.182 C16583 - Indospicine 174.1239 5.293 C08288 - H-MET-MET-OH 281.0996 5.22 - - 6-Tuliposide B 295.103 5.01 C21186 - Isopropalin 310.17646 4.842 C19063 - Ile Ser Val 318.20255 5.514 - - 2'-deoxy-5-(4,5-dihydroxypentyl)uridine 331.1503 5.425 - - 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one 351.25305 7.088 C14594 - Lys Ile Met 391.23657 5.22 - - Gln Leu Phe 407.22865 5.674 - - Stigmatellin Y 485.29005 8.874 C12150 - 7-O-(6-sinapoylglucosyl)isovitexin 801.22401 5.908 - 72193648 Dehydrodeguelin 393.1331 6.003 - - secobarbital 239.13917 5.471 - - Antibiotic Tue 2480F1 259.10802 5.249 - - Dilatrin 481.1501 6.127 - - Tyr Met 313.12161 5.337 - - Loxtidine 360.2385 5.791 C11805 - Chaksine 451.30363 9.099 C09940 - Aromadendrin 4'-methyl ether 303.08661 5.41 - - Thalidomide 259.07174 4.889 C07910 - (E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadiene 211.20603 1.074 - - Rehmaglutin C 201.07606 0.987 - - 1-Anilino-9,10-dioxo-2-anthroic acid 344.09121 2.099 - - N2,N5-Dibenzoyl-L-ornithine 341.14946 5.943 C03712 - Asn Val Leu 345.21351 5.501 - - Gentiascabraside A 405.14005 5.425 - - Erypoegin H 323.12757 8 - - Naringin 6''-malonate 667.18701 5.52 - - 5,7,4'-Trihydroxyflavonone 4'-O-xylosylglucoside 567.17007 5.631 - - luteolin 7-O-beta-D-glucoside-4'-(Z-2-methyl-2-butenoate) 531.14987 5.937 - 91666353 Cajaisoflavone 451.1754 6.622 - - Caloxanthone D 427.13904 5.923 - - Pro Pro Arg 369.2248 6.709 - - Methyl 4-O-galloylchlorogenate 521.12988 5.747 - - Ganoderic acid W 573.37867 6.112 - - Pro Thr Ile 330.20262 5.399 - - 5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside 535.18085 5.351 - - Scrophuloside A 475.1599 5.777 - - METABOLITES_END #END