#METABOLOMICS WORKBENCH ghost910_20251130_194817 DATATRACK_ID:6780 STUDY_ID:ST004459 ANALYSIS_ID:AN007466 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 NEGATIVE MS:MS_COMMENTS Untargeted metabolomics in negative 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 CKR_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 SDA_1 SDA_2 SDA_3 SDR_1 SDR_2 SDR_3 Factors Sample source:Root | 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 Sample source:Aboveground | Drought_Intensity:Severe Drought Sample source:Aboveground | Drought_Intensity:Severe Drought Sample source:Aboveground | Drought_Intensity:Severe Drought Sample source:Root | Drought_Intensity:Severe Drought Sample source:Root | Drought_Intensity:Severe Drought Sample source:Root | Drought_Intensity:Severe Drought Harpagide 961738.2861 5110635.662 5042912.782 961738.2861 754338.946 1010445.826 5083577.263 8726483.926 15764907.92 1022046.163 1232773.188 1271262.91 6332757.931 9649030.655 4521578.919 1453815.92 1341028.679 1027130.372 10112209.05 9677152.023 9080920.155 1417318.622 1691571.434 1178051.909 Gnetol 10110951.97 6267538.274 5540420.78 10110951.97 10187610.04 4295299.357 4369947.124 3622710.637 4164117.984 6286940.982 9501441.051 13180702.12 4868424.405 3690649.037 3558452.491 7366168.21 7135690.498 4920843.225 5036530.589 4013547.74 5784906.571 6210670.374 7397763.151 6075278.528 Oleuropeinic acid 9791213.6 516191.5593 513233.7938 9791213.6 8944087.302 14256100.2 831367.0248 456360.7887 400621.1314 8250937.594 13953974.28 9006110.322 219891.3047 1225512.143 378012.9407 12696518.38 5335624.944 4721096.426 690639.3685 425552.599 1223050.666 4622925.839 7917851.437 7297145.41 Granilin 20058591 1085613.145 1415108.607 20058591 8008199.477 20931337.1 1411306.07 2214642.558 2357307.31 8472917.979 10989169.23 9783800.124 181359.4246 557826.2287 1567241.424 17631291.24 15328326.11 13089936.3 474914.1159 1271698.437 324404.4758 9404618.875 12540018.18 10790007.26 Smyrindioloside 1359113.248 9320476.987 4916976.334 1359113.248 1439503.289 895590.1837 3805952.663 4536415.178 3306784.163 1034033.414 2141707.18 3875562.915 7502381.528 4843189.065 5385855.882 1976137.028 3287459.37 233393.7634 3064550.108 5657797.7 5112762.58 1247447.097 3172747.519 1026802.125 Astragaloside III 39905918.85 1047504.159 806970.4866 39905918.85 45061555.24 78560464.81 2089762.077 873661.9717 4909140.416 43558797.14 38527994.98 38957758.17 2022502.424 1882756.935 1447652.756 52578776.88 20173633.11 38925250.03 1657707.376 2541272.06 1825090.225 41315943.02 37856356.45 42931799.41 Rosavin 234784556.7 108997467.1 80279445.73 234784556.7 44355498.6 45349142.27 35965177.78 111950002 36667374.6 42712827.91 135074941.4 77853505.43 166856853.6 485373115.2 88944164.36 265527835.9 182781399 192878804.4 56615713.11 64002273.71 107225919.5 75694763.95 120528107.1 74077282.78 5-O-Methylvisammioside 5357319.21 2973202.115 3417736.123 5357319.21 4297142.356 6034883.311 4726679.58 3544275.13 2486679.787 10401264.97 6082324.798 5124546.135 5606990.564 2918236.7 2508224.915 6963874.683 4000288.152 6266162.279 616850.8659 2148085.714 1849015.258 6825152.927 2962206.685 5740966.343 Sesamoside 82228611.26 8650126.894 10732583.98 82228611.26 94802816.27 103814271.4 6792883.906 7259726.339 9230013.095 60887176.63 119771648.6 106377705.1 4837741.027 5938527.035 7646366.564 167888718.5 89699540.24 134930100.5 6755864.341 7777944.293 7626006.073 105451365.5 67627182.66 137260380 5alpha-Hydroxycostic acid 14247445.96 4744077.986 3998618.444 14247445.96 12028812.03 14106986.26 6200039.472 6073545.811 3091638.938 12123245.74 6739804.875 12920412.01 4717250.528 4021592.333 5101547.66 12807835.51 15509070.34 11516448.77 1619143.829 1828816.036 2832447.678 7132331.978 9331744.604 9576896.318 Medicarpin 90682356.6 7531961.745 5531344.777 90682356.6 18868727.77 27618467.69 3421052.081 3815284.954 4499202.276 15693146.99 36755689.14 51492492.68 4174987.765 3820027.482 361605.0915 14989075.02 52260134.55 38794951.36 3154932.063 3069950.035 3879144.63 12489932.69 15181190.75 15414180.88 Texasin 36114083.34 691703138.4 327173378.8 36114083.34 12720522.63 7446727.369 244001857.8 249975909.9 534984045.2 15561132.02 13695365.84 13212043.65 745737910.2 255217595 157878376.3 6144651.801 12459527.32 9354676.404 59713896.48 99458228.79 137282191.2 10281793.49 8191845.852 10963606.08 Continentalic acid 3358464.082 2265687.465 2415140.516 3358464.082 5711826.581 7798280.164 2517243.086 2973262.297 2522655.725 8876737.398 3387489.626 4848188.978 17640701.8 2338131.437 1973405.096 8901189.858 2817767.469 2858008.392 2612003.742 2924039.028 2160086.741 4672451.23 4328252.954 4882569.401 Licoricesaponin G2 3613550.142 10833009.41 16382554.53 3613550.142 3929574.725 4847393.026 21875277.08 5734990.934 19001565.28 6854582.451 3103794.587 2549298.073 3590248.627 6056861.609 1910045.245 6498000.023 4693414.312 2126500.853 6294347.84 9395634.447 14355202.29 7577441.339 1467199.723 3380435.314 Sinapinic acid 20409669.81 34884053.13 43937470.79 20409669.81 21560766.55 21248351.12 18752240.66 30335800.91 35500985.58 16787573.13 31155943.16 8138418.538 21561110.96 30910552.56 36003067.41 22201959.96 11467495.92 11849301.68 42910671.77 36799914.18 33543867.03 18414830.85 11510950.66 15180315.65 Soyasaponin Ba 208820755.5 6138352.529 5536990.29 208820755.5 437403642.2 337755906.4 8960540.461 5784507.738 4141001.195 406526002.1 355386886.2 181892360.5 3351680.613 6837523.767 2306788.984 313850242.7 185179977.1 196654005.5 1659065.765 1344390.982 3143753.824 243076550.2 310481922 370198513.1 5,7-Dimethoxyluteolin 54536455.32 8690582.259 5378416.068 54536455.32 14560573.02 12127768.11 3319997.775 5132739.28 13390273.94 12575178.61 14925338.04 14006120.39 5547922.036 6960240.898 11677328.02 14111886.89 30086876.32 18861476.44 2982605.116 5468467.497 7117463.035 16047136.06 16986803.83 12101540.13 Saikosaponin D 808033.0729 34063492.79 22051134.93 808033.0729 838611.5633 105072.2507 22214641.99 21186448.18 14181069.91 1212082.85 82563.01757 204573.4871 45048291.12 21469810.19 13851932.39 1615681.347 796412.2228 1045408.566 33814128.22 11986001.88 28064851.17 1400331.17 1410405.01 124347.5921 Momordin Ic 235337.6053 124239661.9 31445882.2 235337.6053 914909.0896 1538686.029 61638965.42 82495225.97 140585284 1320631.816 2384782.233 484402.5896 165823804.5 98166405.78 7350785.271 381870.0269 490525.3884 1173901.522 71969827.12 229237791.4 256976916.2 457589.0366 347434.4374 3174366.69 Methyl citrate 22577786.99 25739381.59 27682447.72 22577786.99 18987937.22 25232143.34 19096647.26 32879200.6 29387424.29 14709323.36 36532071.24 18763321.25 26879203.63 31077818.87 25762635.75 37203123.49 33077189.86 20194353.76 31640219.54 56353174.7 58459075.11 29810185.04 32063283.24 21275093.58 Sternbin 16994454.25 17122700.61 14663374.25 16994454.25 6793513.49 4594883.217 10569965.96 11356883.08 16207819.8 6614163.515 7430832.355 7173337.059 12368503.58 10537522.12 9520662.875 4761281.787 6477525.49 5832756.166 4831362.106 9815443.72 11409419.18 4483509.68 5744609.267 5332367.591 Tectoridin 14305381.56 91833061.59 172018260.9 14305381.56 16250717.25 6506888.967 244469812.1 179203071.1 98291540.07 27607798.68 10474102.91 8218780.511 113614834.2 269961056.9 168340475.1 10986062.68 12585326.69 12701000.71 96572429.46 93273343 180601054 29915058.01 17358426.41 16849033.02 Nodosin 130243.4545 578988.2996 180000.2092 130243.4545 88816.56439 1308152.401 443335.6046 602670.5869 514355.7547 1148053.406 924541.0447 1117391.556 215700.3246 373284.2617 424968.8341 2176966.63 586653.6682 1203609.437 471142.0425 541258.9696 762182.3257 2258764.451 17452939.33 3744664.135 Liriopesides B 30429143.53 10051910.81 12304610.55 30429143.53 19714432.68 23597919.72 11945557.44 14567966.86 18978881.49 14842920.31 26600397.81 13518086.31 3102096.27 14774155.35 21878947.16 25437822.92 35499178.88 29414857.83 11185565.76 13254462.46 12809239.91 30812298.25 38041111.84 19303580.24 Oleanolic acid-3-O-glucosyl(1-2)xylyl(1-3)glucosiduronic acid 5454844.8 390360.239 620174.5107 5454844.8 11449990.01 10380568.78 1848876.244 620360.6181 929440.2883 10322875.84 7910114.31 8813901.644 1563432.604 163684.8031 746691.8604 14149029.68 6801570.079 8871718.626 1088180.667 2402479.287 2780308.502 11673408.52 5685589.963 9533676.385 Lactobionic acid 16030552.98 13804683.66 8590234.467 16030552.98 12420776.39 15059366.64 13654462.12 7799531.013 14824896.2 16921801.84 20219635.68 16631218.24 8552775.681 13541004.69 10855160.73 14200291.09 16371884.31 14782009.37 8769263.743 15056960.28 13243163.22 19336468.38 21347260.16 19183893.63 Dioscin 4513384.496 47608130.81 54940148.63 4513384.496 3380578.257 2045404.172 79308985.37 46639442.58 37643629.64 732391.6871 1393600.195 2701677.782 40483745.68 55577198.54 55476451.47 773263.2271 422724.0285 325562.0048 64217378.98 56972711.03 66513233.57 1230996.205 3420442.36 548511.9079 1alphaH,5alphaH-Guaia-6-ene-4beta,10beta-diol 5254663.946 1900872.975 2480873.232 5254663.946 4887382.559 4380388.805 1869602.886 1211937.353 1491612.832 4719618.537 8133652.162 4846078.075 1677187.786 1450612.51 1549753.711 4076789.459 3585832.596 2970283.967 2053292.496 5809897.978 1481680.719 3542796.868 5597941.477 8056451.067 8-Epideoxyloganic acid 5260705.459 3693315.457 6755640.516 5260705.459 4506192.698 4634385.046 7283269.582 6542253.537 5136415.616 5741038.766 6311737.095 4669605.292 3960912.503 4847027.208 4092378.986 3645710.217 5371510.685 6236959.266 3281524.808 3083153.976 4125506.013 6813175.762 6610042.234 6481725.281 Atractyloside A 57463801.48 149312037.1 147583300 57463801.48 102219938 50533112.35 125512209.8 94697504.26 87529814.86 100629475.1 93678338.77 22704719.06 75884348.48 71654828.8 196065297.5 94303096.2 41476156.03 89555492.35 48505794.01 65987075.97 93133867.88 74718631.86 26390849.26 13510172.39 Acetylshengmanol Arabinoside 109268.0696 48729776.96 30840374.37 109268.0696 114419.6883 138075.263 48200800.09 30555456.99 27437986.48 114838.3532 1339075.48 114515.2164 60450209.21 44180626.92 30457944.54 1601677.143 796701.6822 961767.1653 49243933.13 31884442.32 44381655.97 187577.4015 129044.9395 745279.904 Gracillin 6342342.128 74901199.86 144983713.6 6342342.128 6735908.574 8999346.159 175319217.6 72428785.84 104249664.9 4730632.252 11843027.55 8101127.682 96962391.82 73314024.34 126460732.7 9566562.486 4228812.112 4461729.101 81086918.67 75494801.53 122581733.5 9904130.029 10240981.38 6275266.856 cis-9,10-Epoxystearic Acid 120741825.5 29883394.73 24732783.3 120741825.5 82491298.7 84984384.37 57194180.63 22411474.16 36445633.19 85389916.95 54330170.29 77641906.71 27858432.34 34502395.62 33329782.66 192181564.7 122991395.5 148095889.9 30252561.23 64044698.88 23325175.14 68015074.52 54952446.44 165762374.6 alpha-Isopropylmalate 92272367.71 251189778.4 299239489.3 92272367.71 233431476.6 130336167 386419815.9 255251061.2 438501099.3 209163153.8 176668845.8 92791271.12 560812746.1 383859094.2 254857058.8 220254233.1 165594184.3 191923835.8 138963414.7 176738281 157429931.8 105961220.2 100139185.1 129249488.6 2-Hydroxy-4-methoxybenzaldehyde 48254728.4 49302462.3 15885100.81 48254728.4 18980382.6 21856857.22 10187185.28 10396663.2 20694513.49 19246746.86 28990375.78 29118660.05 9637007.549 12831076.79 12214617.65 17058153.3 34430018.84 20307721.19 8317992.879 11004870.33 13310131.75 20570058.56 22810838.04 20743765.58 Eclalbasaponin I 1205041.844 39273360.34 22326605.22 1205041.844 1031052.303 1259183.152 21616921.65 22961767.14 20146900.44 1570250.542 1267322.076 1060527.897 29436209.5 22226084.87 15903571.06 1888562.788 1050183.745 855718.9329 14903467.53 11468071.74 22800427.17 192122.2915 1551393.265 1834230.706 2-Methylcyclopentane-1,3-dione 1409786.043 1815118.202 1565298.607 1409786.043 1660084.031 1445515.725 1752195.923 1924211.132 1908826.055 1448794.829 1193240.307 1346182.244 2414643.69 2080056.275 1267783.042 1814619.011 1247562.25 772373.3085 1741457.396 1354074.157 1363170.504 1889055.091 1744084.65 1372272.226 Gentiopicroside 30371418.94 44408693.81 48744287.74 30371418.94 30695185.84 19528264.83 63465064 37395896.77 51656723.78 38032542.14 41362159.19 30287764.71 19727664.72 37332261.37 88054528.5 38495977.13 42270545.19 31520302.32 11800900.45 21920308.02 22176723.43 49876699.65 36254768.79 31473070.18 Cimigenoside 183274.9148 902161849.2 427787321.1 183274.9148 654997.0808 626452.5833 536961959.3 558059362.8 379949646.4 2032645.413 1366586.67 1475475.181 1469013179 693399808 338165455.9 4214658.899 592988.1188 636157.5101 483040783.4 386945620.6 483032954.4 1713261.429 3576376.974 5036382.934 Phaseoloidin 33992052.38 41918187.13 34881557.08 33992052.38 22266731.61 21956994.27 46730622.03 31249652.9 31188965.49 21554537.9 32538274.9 20993379.52 17232008.36 20848567.4 39012535.73 31758959.55 27782059.7 18890398.06 13207247.68 16490949.92 23741657.98 25798293.18 25075073.46 26789034.25 (-)-Camphoric acid 12639395.36 111310253.8 96462233.71 12639395.36 15406635.21 17427338.53 74137074.39 80660751.76 71585350.67 13544968.39 9127940.997 12840744.81 116862432.8 66461382.11 117605176.3 13189467.29 25861524.78 21613783 65711366.71 84559354.93 91318762.65 8924040.779 23195749.49 12519206.51 7,2'-Dihydroxy-3',4'-dimethoxyisoflavan 7-O-beta-D-glucoside 99911915.51 92649082.34 103177635 99911915.51 55998342.06 58335687.84 55316248.84 33745410.26 149438684.9 77189934.19 78859945.43 46751890.34 59813012.44 45754771.43 49914623.25 56419198.72 54281312.27 69242991.48 31279397.49 34978565.12 67713996.27 61493870.23 71117076.78 72782763.94 Orcinol gentiobioside 1401570.841 195864813.2 132076463.6 1401570.841 1652551.413 1384661.74 138655286.4 220631836.9 173999397 1605377.559 1147514.992 1222239.503 177260638.6 231933807.5 241498672.3 2049425.832 497712.8943 1175835.47 117428813.6 142399172.1 121045400.8 5162742.079 1945113.513 1408223.918 Isookanin 423250016.7 13365564.25 16084877.71 423250016.7 403173667.3 188533957.1 13561277.68 12672746.49 20710734.14 275013940.5 387885306.9 544400603.9 9333793.982 11651955.09 19975935.15 276524430 337812605.6 191210301.9 2407131.941 16156539.95 8619432.323 296940863.2 286799868.8 256393818.6 Luteolin 5-O-glucoside 2204221.003 212773300.1 143030187.1 2204221.003 3589098.788 2195291.543 134758827.8 98492710.82 110370479.1 5729284.078 1954817.407 2478292.93 79747915.01 60919742.42 143340812.8 2845804.648 3076152.494 2485010.982 46865661.03 45243722.43 87077787.16 3670504.356 2434990.986 4582764.795 Irisolidone 47582989.55 3210184.816 1509315.023 47582989.55 11421057.96 24286575.89 157220.786 830983.5549 4448166.358 38877995.47 22447530.97 40895918.53 2911844.364 201428.3289 3791239.017 43747983.98 130052607.8 66954972.84 2305879.148 2831254.115 2409532.06 21403147.13 48117064.88 10850314.37 2'-Hydroxy-4'-methylacetophenone 83917476.35 15320889.27 50214582.35 83917476.35 62771859.71 71784531.02 27551599.57 22895137.39 28616688.62 57782379.23 79864479.42 66672964.05 10215661.6 24006221.32 25015471.78 63159920.7 72119856.24 60536220.94 7240249.655 13105027.74 19812974.83 98989296.33 51266638.68 60123472.13 Rosarin 8781972.712 11414909.11 9232888.58 8781972.712 5068825.127 5490163.584 5350178.385 11134339.66 1727052.824 5742731.633 14286999.83 7155699.646 9679927.082 15686537.84 11536132.23 7914139.967 8965044.43 8623669.763 11743407.69 10561887.09 11950913.45 12868620.62 6732840.512 7587571.632 Asperulosidic acid 519230105.7 87564629.14 76006016.73 519230105.7 386270537 334241665.4 107485342.3 82487874.11 85543653.15 523602493.2 703392949.7 460509738.5 33858859.43 81634089.58 100025159.8 761950946.7 636798023.9 485950869.1 38978513.19 45710244.69 31064060.9 663422591.5 427058099 463237585.9 Peonidin-3-O-galactoside 30876676.7 1149420138 629785712.3 30876676.7 41891616.72 12172879.77 589996140.5 563743736.6 772915061.1 71467518.58 23760184.46 13191110.26 804961342 584999052.8 448492941.8 34810982.95 18624675.09 14612538.5 379136232.8 388194224.3 449692620.5 78711071.46 26927848.45 45956219.26 11-Oxomogroside IIa 1070353.703 117713390.7 78617593.83 1070353.703 898758.8405 1008577.46 72170097.49 71783962.61 50430233.67 207363.7624 153937.2616 825105.5768 110537336.1 52631702.46 83708709.15 1537598.822 1087072.82 1229861.983 47145869.32 33124033.12 55895074.44 2093978.632 1340149.536 162560.3097 Ilexoside D 11292651.44 1013126199 1138836364 11292651.44 19325474.48 28718980.46 1447915490 800127333.5 1016708525 29301361.64 6102714.883 10245192.28 1403495877 1034094961 1262807843 16889796.72 3170390.71 11770881.89 1503272194 828988360.4 1260266831 20123057.58 3602146.867 11250687.05 Eleutheroside C 2443202.736 31866121.74 54521482.51 2443202.736 1028263.998 1920360.03 26022087.22 46567877.76 77230166.29 555875.2063 1340928.902 5627862.712 23851170.59 46541655.48 39440763.82 847042.5243 1723189.433 845873.8721 119399780.6 172279966.9 114219690 3917903.546 3980843.08 1278242.822 1,4-D-Gulonolactone 7022733.437 7194653.828 6703432.898 7022733.437 4696956.301 5562027.036 5068188.077 7453753.588 5628057.733 3964988.747 7862693.335 5159728.279 6242405.303 5443952.614 8396768.917 3162134.022 3609908.071 5786262.448 3793612.439 4525610.449 5722183.168 3476091.029 4440986.392 4726464.571 D-Glucaric acid 23074014.62 3160572.149 2828885.754 23074014.62 22631291.17 25947308.71 4813103.425 2841025.79 7985027.51 19301381.34 26000219.72 21902904.29 2724185.748 4107435.696 5874975.195 18724362.16 23406278.69 25022071.48 3321086.076 2653504.554 5791334.487 21980656.65 17220616.2 15941942.52 2-O-beta-D-Glucopyranosyl-L-ascorbic acid 176594468.9 86051695.61 86222823.09 176594468.9 98463012.1 110992683.4 118730680.4 78767247.2 144513012.8 109148931.1 169208889.2 132539550.1 120715111.2 133758098.5 111705191.3 108425870.8 118901549.2 90127956.98 132153624.8 179205454.9 250740170.1 164272749.9 169915426.2 137253193.3 3-(3,4,5-Trimethoxyphenyl)propanoic acid 2076142.916 19012458.14 25538501.71 2076142.916 5077049.031 9914308.458 11375375.85 22014299.04 13165197.52 5016307.609 11840233.09 5970871.957 15835763.4 29152457.2 19381264.8 9346935.313 4956483.549 2849206.037 35390883.86 18859061.75 16848958.01 7769523.427 8363655.279 14384816.02 m-Coumaric acid 55035827.32 104496186 127974598.8 55035827.32 63738887.53 54282924.53 595586.5573 123311360.1 101679499.4 43021636.45 59775542.35 51767603.85 198809687.5 121361531.9 106616572.3 63047541.23 41054948.97 34955505.59 97262648.71 74527473.39 79683171.9 63306631.04 59471005.81 67376507.05 Tridecanedioic acid 2062851.924 1257081.309 1118412.701 2062851.924 1942495.04 3183496.614 957998.023 857252.1822 905489.9111 2168869.267 2759615.136 2179672.896 876049.8217 730380.4663 967099.2506 2095809.257 1303601.346 1121136.53 541688.3132 342113.0313 295970.9624 1689721.721 3247378.776 2249212.791 2,6-Dihydroxybenzoic acid 6492152.982 367832199.8 320789253.3 6492152.982 7662817.545 5677621.258 175685859.7 487932699.3 222067699.1 4625105.709 7533166.503 6216224.445 259127921.2 400915325 442869545.6 6130538.958 5522400.658 4766146.436 182580676.5 288356776.5 160678457.8 5336947.276 6475780.692 5252100.986 Norepinephrine 1655124.929 12248943.15 13558144.57 1655124.929 2709853.611 2579158.85 10208790.21 11719654.24 15427429.79 3807678.664 2928144.8 2299091.599 19634763.7 14449688.53 18534974.6 4395916.536 2425185.83 2151107.289 9447963.605 9402711.367 15434602.47 3535460.481 3592551.721 3477412.977 4-Hydroxycyclohexanecarboxylic acid 189658648.6 15608501.39 43559798.72 189658648.6 146414687.2 141741333.6 27584361.46 16455205.6 29627586.9 174508586 219613626.2 190817555.8 9971933.458 18710101.65 16860769.95 135939031.7 143085124.9 148474948.3 12249561.11 10132623.76 22674014.85 231572763 136404824.7 175824758.3 Disodium succinate 317076213.6 240903430.6 434268131.9 317076213.6 326953840 399649550.5 275569452 337618065.7 318346565.7 266792902.3 410291158.2 225993748.8 162952515.2 196712080.4 292594901.2 432134016.5 241128764.7 285714839.7 168949683.2 389617063.9 371774576.1 298854350 502002064.8 357539446.3 1-Kestose 6182058.396 2518319.619 1755359.726 6182058.396 4778492.628 2575954.506 3295750.467 1850798.986 3304765.249 1881931.265 2247688.699 5693269.478 2527594.942 3095436.154 2288144.15 2895913.434 4085632.828 2904277.495 2668229.914 4084645.562 3255434.34 1926268.042 4456879.124 6781195.865 Ac-DL-Trp-OH 756270358 159510807.5 234645621.9 756270358 509035401 882837827.7 189673098.6 320028905.9 439688793.3 644553807.4 994109870.7 728360615.2 358410483.6 201001520.7 193935836.1 1282496757 623230395.5 546276987.2 100727265.9 161003530.1 190600895.7 935565703.4 1031095410 504895777.3 Undecanedioic acid 119478672.4 3507006.944 7786086.264 119478672.4 95741161.77 132403312.8 6669045.33 8040349.822 4273977.197 46491469.41 56441500.03 85418635.86 3756214.322 3926819.719 4375076.044 89342924.47 104764037.9 143538768.4 439489.8321 533489.3117 1906652.598 64152143.78 62397986.64 73926404.42 Moracin M 53894052.61 7531961.745 5531344.777 53894052.61 55793508.68 23907958.23 3421052.081 3815284.954 4499202.276 38792861.61 53658493.97 70607261.19 4174987.765 3820027.482 230599.2167 38150633.6 42550521.83 24658075.77 3154932.063 3069950.035 3879144.63 42722124.13 40788371.51 37907854.93 L-Arabinitol 5929921.679 23452727.37 23187920.44 5929921.679 3936796.44 4442119.706 18615290.05 28570812 21656986.93 5095606.806 4858828.308 9498985.514 24969877.46 28032361.46 21073413.21 6312775.744 5021368.004 2115209.36 24484904.28 24389518 28870489.72 9149039.536 5158864.194 4457054.555 O-Desmethylangolensin 80137056.01 9099283.611 17532081.28 80137056.01 26942528.59 26577791.94 9086683.601 11368897.2 26024104.33 26178165.22 43847011.2 46369231.61 7174579.181 13668297.69 12167572.59 20913545.38 60990706.41 31201335.99 5648383.989 9446437.908 13717506.76 29390471.24 36617914.83 29640061.2 Phloretin 33664447.28 11966683.22 20653328.51 33664447.28 4928378.927 2730793.63 11383555.9 20174103.8 28031117.49 5534991.044 9536120.83 14492919.96 12383113.57 22917007.12 75679755.01 3136094.488 5638151.259 6721425.387 15324079.87 24855599.07 28811130.54 6490527.95 4733112.777 3576338.333 Urolithin A 447488.0362 35188530.32 22311610.74 447488.0362 913653.0595 1286434.157 24022684.37 23242094.43 29099270.07 2439804.446 91677.33809 462900.8892 23803122.32 21924514.25 19633955.66 793527.0242 118513.1216 339558.3262 17221615.96 20670634.11 22636435.47 2267160.359 592756.4333 1667522.558 Uridine 113538439.5 95296587 123180850.4 113538439.5 104590593 80906932.43 119131310 115837691.6 140783256.9 122082634.8 149778038.1 90162294.55 85670483.53 131814907.4 143271244.5 107452570.8 85782593.53 123755008.3 128892550.1 137667508.9 194694766.7 109337626.5 158901046.6 107454267.9 Bilobalide 31516014.4 575094785.7 276854060.8 31516014.4 9884673.561 8606943.322 191907128.5 792725259.3 306498987.4 13026495.34 17994110.75 10316700.98 680281740.2 740123736.7 275979617.2 13250044.28 12271218.81 8589802.038 580660256.3 302035335.8 178093621.6 35939326.42 35257056.49 13210567.82 Pyrogallol 35863185.8 11728353.03 12409687.31 35863185.8 10381897.44 16224549.9 16036583.33 10211950.91 17755450.43 12957540.11 34309250.98 15759238.99 18806738.55 12582358.12 17050237.01 26403020.05 16031778.14 13601906.68 7897303.118 10959277.53 13248961.48 16319429.8 14434897.66 13582952.7 Guanosine 27778258.81 73248174.94 121814436.2 27778258.81 76315881.66 50628652.32 121937991 108596806.3 122156376.4 96605440.51 128918356.8 73676690.92 61288399.67 67206626.71 112674468.9 48018992.24 42961126.34 66005951 101047520.6 137565055.6 215816076 54258907.35 58185579.06 49663211.44 4-Hydroxyestradiol 43716888.77 3811605.115 2931811.386 43716888.77 30309376.92 29496964.53 3873571.633 5475928.135 1255321.572 36690204.93 11514403.38 39350076.18 4264877.357 3784937.592 4302357.308 30244985.69 48796602.16 44222054.4 470569.2735 184234.2489 1135724.97 21290856.98 20985675.76 30499504.03 D-Pantothenic acid 65655953.43 65164623.49 66935981.35 65655953.43 83295910.46 83820603.14 70665753.94 70233025.4 57666056.9 74815748.58 82644064.02 59771371.48 49270533.77 53543694.33 85351304.01 70868810.15 52082954.9 76676701.62 35916647.9 37856647.17 43155847.37 65837037.76 88297457.19 58722879.74 Galactose 1-phosphate 126296309.2 13191179.56 14498250.85 126296309.2 87332387.52 114631433.1 25342779.4 6054022.395 19793651.53 77306594.1 34083461.06 98100075.16 15606190.21 19528385.02 42879358.68 92131785.66 111796002.3 119392070.2 11680031.38 17578031.43 22288200.48 151905991.8 139964729 101528561.9 Ethyl glucuronide 7941356.339 5342938.45 5063595.702 7941356.339 4632256.076 4126320.859 5313834.103 5317957.433 6904785.433 5240108.699 7471080.19 6077682.772 4494503.395 6587940.103 5563767.498 3994068.205 5720723.826 4700635.058 5019314.51 5308419.48 6471357.654 6246074.376 6351462.851 7280480.338 Pinocembrin 68763652.19 5736131.009 4917706.305 68763652.19 18629924.77 26112382.7 2642867.944 7699245.931 2684391.404 10874524.79 30198848.9 31066864.21 4672954.848 2617012.997 11957756.61 15096977.11 47252982.32 30057368.58 2978575.548 5680298.306 406159.1202 12995563.37 13589999.96 14604475.95 Prunetin 3235701534 214443134.8 296168845.4 3235701534 1700648149 964942477.2 221475965.9 199375397.3 229703230.7 1730808507 1559051611 1688432924 79420240.5 192221991.2 353607004.9 1164889972 1590654493 1352265147 106154278.2 188624481.6 167633164.1 1538109851 992778190.7 1282012148 Phlorizin 61326398.92 22808189.14 40046987.67 61326398.92 11641616.19 18370850.47 20919849.8 44908332.95 31126117.66 17963225.11 47710619.61 36870802.85 17584799.28 19219498.66 63078408.17 16055411.85 44823447.92 19197062.2 10717317.08 33768985.8 31506824.63 11488795.66 25768027.2 12211584.8 Esculentoside A 36531591.36 29468458.32 58075532.01 36531591.36 34051421.76 30493357.86 61164385.88 46191449.86 90309463.43 46639425 49863538.57 55828104.06 38379398.44 22372549.77 142317105.2 34479860.13 44440692.51 31054359.85 14455663.4 58197946.38 77379466.97 24306982.81 27304695.95 35678126.62 Isoquercetin 959284.5077 107525442.6 47470600.47 959284.5077 1160446.858 239787.4161 104266752.3 15190683 23450072.57 539861.7269 408551.2046 166747.2515 3242019.024 13719162.18 42862574.74 1828396.483 1187756.35 1569932.674 10816189.78 8449640.753 14642427.78 4464820.802 1659147.699 1972407.7 Traumatic Acid 466904677.5 180756508.8 109105470.3 466904677.5 477399926.6 732984325.4 84114760.12 125611894.9 77293889.63 451923807.3 249353285.5 518136766.5 88699770.53 66142808.4 75401609.05 330363102.3 348736609.6 331516485.5 61379255.14 75294452.69 63724361.13 305464755.8 384513549.1 324210475.5 Verbenalin 22279774.85 8440314.122 11546544.45 22279774.85 11235979.09 16085696.49 9787688.573 12491309.08 15619241.87 13964894.06 19813702.38 12108319.53 8258388.525 7803158.658 7078872.11 15324742.14 16802456.42 18230815.61 6890271.959 10217649.1 10533112.17 13671153.14 13413979.25 14079487.08 Furaneol 35980291.3 114643714.3 105189080.5 35980291.3 40008332.08 38994580.5 89999642.46 112672952.8 99098915.98 42018431.4 40300026.33 40741051.29 82057596.39 88345478.94 109299300 47026003.67 32373109.76 35002423.67 105724801.7 114473948.5 92600511.42 54129568.14 50276662.06 41812255.51 Picrocrocin 6868788.452 432515753.4 328090444.6 6868788.452 1775438.878 301155.1806 133974863.5 368752044.6 222398123.7 4167773.756 1528446.754 1749168.17 405157741 240637731.1 209788044.9 6915999.648 655735.8073 272582.9514 248871483.8 286644792.6 298105570 3539709.364 871609.2321 2643825.581 Dehydroabietic acid 8244992.113 3760900.771 2963885.886 8244992.113 10586154.3 15026510.7 4571293.505 6064197.57 4005078.506 14653527.5 7911665.69 8451348.582 53974853 4568444.3 3769972.049 14598752.05 5081461.505 5553625.168 5575740.529 6594612.293 4075899.149 8758571.387 7701152.201 8629792.282 Isoformononetin 245175912.5 59123799.48 87360435.46 245175912.5 122398928.6 120054489.4 115423165.7 78237878.52 83489279.65 156569459.9 125359006.7 101516086.7 27302759.84 49587095.44 155867206.2 45488346.08 49004635.57 53321988.77 13678163.51 48481849.33 55904088.67 72122340.74 83578705 78278120.72 2'-Hydroxydaidzein 41694741.68 10680789.55 11837271.48 41694741.68 22149233.47 16272669.74 8797670.608 9008901.014 12936096.18 20054741.74 28411392.68 43792286.71 5659124.184 8401334.394 14559123.94 15652978.29 24636618.04 21181544.71 1167582.958 7426836.5 4756094.319 13487022.79 15139283.93 20511093.79 Kaurenoic acid 22942554.4 3778136.287 2791429.714 22942554.4 25642301.82 35599445.11 3414193.149 6184014.051 2616716.149 41664578.51 37774289.29 16064087.71 31105901.58 3415201.589 2730017.641 23103960.14 11750451.56 9640745.689 3327806.699 4472468.233 2622989.677 10353615.39 20630650.56 18095283.29 Isostearic acid 32396033.61 30705573.86 25266905.05 32396033.61 28334025.71 28368922.93 22637640.11 30743918.34 25506397.93 30055479.46 35677949.17 63526449.13 23742437.13 24720539.7 23938505.68 29857392.39 25097004.11 26452045.54 19131396.4 16707284.17 15434465.43 30356526.58 39355320.63 33969546.15 Toralactone 24522239.19 15745543.17 22162325.46 24522239.19 10107290.47 9468922.05 25480587.9 12542391.78 20171924.85 16585226.47 12175062.62 15200694.45 14266890.5 24976628.02 27075646.25 12486386.03 14165225.78 13818640.82 11662865.86 17044382.62 19689015.53 11353667.62 12568465.23 14057974.95 6''-O-Acetylglycitin 6298024.593 13614739.74 20664812.89 6298024.593 5186345.833 3506309.022 18165427.98 14056376.65 17948555.92 25326721.99 7167177.986 6381290.098 7745510.23 9136908.779 15860113.08 3558486.887 8297582.633 9457978.925 4645069.376 17664241.74 9795481.384 10582815.26 3878673.742 9396042.06 Herbacetin 5797216.937 208850821.1 145393797.4 5797216.937 9439186.811 1158250.585 163158670.1 150617932.7 189311220.5 15521915.42 5388841 2527067.846 218390728.2 213846251.5 217634724.6 8622646.176 5151324.305 3159297.189 110626372.2 133378474.7 144339875.3 25379096.94 6944598.621 10647716.72 Desmethoxyyangonin 20120841.37 640543.189 6525005.598 20120841.37 4578888.544 8080877.105 3468313.941 8791430.879 3343246.486 17293146.26 10554972.36 37943086.75 146983.876 3164782.77 25789906.03 26561355.04 20756991.15 19338900.03 5188491.928 3657785.125 1358985.36 6994104.842 13714042.93 6214429.639 N-benzoyl-L-aspartic acid 17551121.43 19482524.77 28510390.53 17551121.43 9231942.842 8081472.924 10251665.7 54980573.38 27371605.31 5540125.193 14253255.57 8863233.556 13398253.61 42988508.3 23154818.97 4315091.936 8528051.565 5399384.957 17981780.05 23895127.9 16724675.12 8229031.009 8041727.095 4143629.904 Tetrahydroxymethoxychalcone 4468125.2 2290533.514 3442321.547 4468125.2 5132118.547 3331543.014 2336005.911 1948389.751 1023188.364 4113099.237 4400816.128 5414629.64 3638919.476 5309509.959 6240345.865 4775610.789 4161670.556 4361568.291 3213935.501 7270800.487 5212437.413 4247766.735 4044429.85 5027674.578 beta-Boswellic acid 474154545.9 3510304.773 1525796.942 474154545.9 465350490.4 471386157.7 8393276.332 2493807.649 1137714.627 404451423.3 494561667.3 343225108.9 8358454.522 2907686.377 1598965.032 420075624.3 462747118.4 394781363.8 8674940.308 3096928.15 1761625.31 578301752.7 752165837.2 500558131.5 L-Canavanine 2320425.73 94730.4269 1127867.612 2320425.73 2982425.84 1882968.071 367534.1705 66356.53428 856967.4219 1991354.643 1848873.722 1969088.41 27450.2274 196466.2288 1158126.09 1184063.49 1656907.492 5126691.11 812457.2645 132254.8492 221027.2132 9197827.572 9579032.718 3892735.755 L-Fucitol 3778454.952 13706896.69 19680156.02 3778454.952 3699579.19 3077459.091 10727164.75 12687142.02 19238374.42 3259804.06 3743092.718 3540038.75 11462109.44 12977419.69 15525337.16 3224575.06 2773821.452 2702117.811 10773583.96 15626274.74 12056875.38 3735942.21 4323378.806 2834464.91 cis-10-Pentadecenoic acid 3426126.024 487609.4662 535150.8797 3426126.024 4206255.779 4365886.685 1097402.01 785841.2421 589328.8499 4550766.301 2595452.322 5032037.431 275903.682 317457.8517 568906.4124 5205185.485 4308503.839 4471703.335 278685.8844 504463.459 225617.4809 3175532.058 3367168.404 6488169.35 2-Hydroxycaproic acid 123301956.8 295260108.4 277259078.3 123301956.8 158811171.3 168615343.7 219019094.7 235465979.7 399060908.2 115588378.5 147732160.7 107960826.9 219413885.9 296691955.7 252187792 152082375.9 145078802.9 64341627.67 333270849.4 275923502.7 221445437.4 170537914.2 292020998.3 143739381.7 Suberic acid 64481200.58 365549765.9 340155715.8 64481200.58 73674033.45 85426897.32 209094411.4 241304717.9 281177288.6 62853994.28 77848200.95 60375290.37 278092103.7 226607835.4 298906013.3 83562910.88 65609146.15 28740364.97 244386608.4 223396920.9 284377947.1 78271074.34 146538963.1 64188600.96 Threonic acid 88918336.16 268081610.7 226917268.4 88918336.16 104361497.9 121811331 282933489.6 256568785.8 348301615.8 73863051 75909468.06 75348774.38 212202001.6 277599055.1 298620533.1 116934711 68386024.18 75442976.36 233611484.4 206464586.4 434225520.5 109300750.4 135259492.8 74169686.25 Ketoleucine 83709522.32 11676956.77 22418864.16 83709522.32 127810920.9 89360084.51 33404764.67 10595350.04 10962284.64 147265543.5 111447358.8 95559571.24 6134260.372 6634390.395 7300142.616 138772751.8 130397099.2 151390813.3 6462796.609 3305684.501 20894864.12 97746230.3 98023130.12 88412502.15 L-Citramalic acid 22284790.42 54008751.42 30850848.29 22284790.42 26998071.82 29666929.4 37762911.99 49563388.78 48743415.88 25558892.85 31329844.7 18836325.62 29083723.14 46181565.01 47450407.65 28675590.02 23233377.22 21281622.05 29441432.28 54437083.28 44976768.78 24850550.18 26965876.33 22841192.58 4-Hydroxycinnamic acid 22589283.35 460678244.4 438825265.6 22589283.35 18298798.97 16879841.86 456921802.1 328649228.4 271734555.6 21413899.11 21142542.77 18489531.14 699636835.9 752657146.5 377140969 22351574.21 19658862.94 14912331.73 630963257.9 325305509.7 429644072.8 16700219.08 30666447.33 15882248.72 Phenyllactic acid 60234359.16 223257327.5 199189319 60234359.16 66850118.65 66477947.74 156495191.2 192850160.1 255194794.1 39667435.66 68288108.5 47776637.42 174744599.7 210973037.7 183012016.6 56462843.5 55220834.57 25953376.63 139806204 175260060 165235609.6 74482103.93 55126855.39 62631651.44 D-Gluconic Acid 343920910.9 176331640.6 170319004.8 343920910.9 295902683.3 337596658.4 234323842.6 159721381.9 263931358 312159669.9 332931946.1 381568689.5 169146582.1 262706917.1 243255174.6 357401717.4 356901072.5 303833896.2 146707447.4 168955716.8 272969864 414933163.1 490367518.9 381042277.5 N-acetylleucine 72002468.55 64510282.07 64220646.15 72002468.55 57078065.94 51150639.49 56061219.45 50991913.09 198080049.3 74336079.01 81164721.63 78828918.77 45630923.74 57214180.22 46215746.4 84157029.09 60836659.33 90810390.14 45260270.18 46005725.64 41700968.14 68477290.05 78334241.29 60537561.64 N-acetylphenylalanine 206158622.9 69147032.75 100612755.8 206158622.9 76191638.6 81299705.42 63774721.52 68261634.78 622327262.8 76952973.82 120916324 118354051.6 60166553.23 90041286.36 90020949.92 80337391.3 118693951.8 237970945.3 73733167.41 73457691.61 70933610.89 89965599.88 70776013.42 79414964.56 N-acetylvaline 27538851.24 21359948.47 22050688.35 27538851.24 22508576.12 16358974.09 26303955.16 22541063.65 63426588.06 23567016.61 37215189.1 30825203.27 15041054.36 17247086.08 16881456.46 41122143.82 27663957.43 29769976.45 15402641.37 18292011.71 15949249.67 31960270.45 31280653.06 29951697.56 N6-Acetyllysine 13418780.26 20065021.46 14497812.52 13418780.26 11699528.96 12227816.11 9749105.897 8368348.957 15824561.63 15040092.01 19408264.42 11582925.05 10994120.17 11698076.86 8166307.721 9280500.635 7745948.637 7662350.807 11912619.96 8523499.644 11334901.56 11470049.32 11145235.68 10502985.55 4-Hydroxybenzaldehyde 574308331.2 462439516.4 521038181.4 574308331.2 597995102.2 597351740.1 397942244.3 449077187.1 347342113.2 420407672.4 732340910 699902687.4 358132417.9 535402058 443237484.1 851949195.3 443482028.2 440992604.2 466719314.5 540421252.9 618452126.4 413032218.1 420958064.5 505838258.5 3-(3,4-Dihydroxyphenyl)lactic acid 31250645.73 11550044.99 9692155.049 31250645.73 21127966.75 24318461.7 10363483.49 11142008.1 13507874.23 22291556.94 46255320.69 20411291.33 10338556.77 14082043.27 6174404.249 36288155.62 21700859 16420655.69 11132314.91 11350592.66 11584679.03 22424424.73 37457891.17 30241426.03 Hydroxyectoine 2222008.664 288394.7992 494110.6772 2222008.664 2733973.456 2600911.223 482397.4402 432015.331 269001.2784 2824120.775 3088659.171 1850332.874 244734.9508 351201.3679 268955.5936 4563424.52 2747973.522 2347132.241 120648.768 101340.4941 348811.9652 3219891.728 9065564.178 4797737.26 Dodecanedioic acid 6427478.626 1645169.601 2064767.243 6427478.626 8436361.933 9136446.076 2847903.132 2441022.151 1590382.318 7139845.026 3171952.834 8657393.64 1610446.702 1639377.836 1847738.04 9809205.397 10819637.65 10164574.57 936905.5284 1782498.716 1168208.249 6213149.547 6404614.568 7742739.217 Maslinic acid 32137938.3 680182.3341 83553.06164 32137938.3 35503348.15 66581477.22 2648532.175 211429.061 276486.1132 53760002.83 39542254.72 43527725.45 453423.1028 2618599.413 2777371.493 47743090.7 24100887.54 28188379.64 355986.3567 1278202.681 2902839.915 24684334.18 34180892.34 35978184.75 D-Xylonic acid 237679993 345762043.3 306597129.8 237679993 252185110.8 240071862 469447409 283085361.2 514649964.7 229546639.5 240799744.6 189702219.2 313450389.8 478815913.7 480695027 348133468 246427727.6 200667227.3 297530508 340947975.4 584707665.2 363994255.6 346532100.3 285091030.6 Hexadecanedioic acid 4382810.845 3911542.007 3242600.906 4382810.845 2431972.786 5132378.457 5593783.513 3258381.189 4205175.115 4826897.894 4593392.972 3476830.123 3206648.393 3481833.141 3137206.055 3610955.152 2924879.948 2129108.043 3329556.255 3715151.848 3586349.806 3966413.519 4842158.437 4352492.122 2-Hydroxyhexadecanoic acid 446277927.8 234305330.8 320277228.7 446277927.8 275361642.2 388522585.1 283286130.3 292263560.5 260281074.3 400949667.4 370301247.9 700936317.5 220808148.2 307514610.5 285198561.3 358895022 295179682 365706160.5 314667032.2 360587575.6 153865541.8 359238243.5 302669634.4 468225603.3 Glycylglycine 11356929.16 7668516.585 10354364.97 11356929.16 51875950.14 11517625.67 10945993.45 14907861.15 26769879.35 22490500.32 22941932.33 656478.0694 3375057.645 27647396.39 17624806.36 8764129.302 7071583.297 18699192.35 4721547.908 10717333.66 8955938.98 132488299.8 19097664.49 11603514.81 2-Ketobutyric acid 33072125.57 29230104.9 23013251.49 33072125.57 17735614.4 23293733.82 26532188.08 23430958.88 30367457.09 21137282.97 30673507.42 23352326.1 23601873.16 24177756.38 28012470.34 20275933.25 17255199.65 18858715.42 21933131.23 18786103.48 28323553.46 22455089.84 24613684.35 20772489.71 D-Mannitol 22493769.82 32111208.75 29562767.18 22493769.82 19146292.69 20342478.33 50606426.77 32035053.68 28164998.22 24460824.29 26198420.38 84679293.04 37410698.78 32950315.98 28006625.6 39689734.84 26181889.64 18668910.18 31405603.87 29542987.54 33108397.49 22896552.48 28310319.41 23240592.03 L-Homoserine 43190124.19 12930222.9 15543915.05 43190124.19 63449005.19 54825748.75 18170582.92 11563597.88 14220393.13 61985414.03 49990791.49 35009751.73 8783851.483 14922108.98 13769510.09 51888221.96 31660360.1 59952055.87 7248310.234 9621562.011 13069146.18 64127063.63 69794426.84 56635611.88 Heptadecanoic acid 3035400.337 3716035.762 3093272.209 3035400.337 2451962.68 4455029.479 4036458.351 3546584.577 2850340.062 3565240.329 3173118.397 3430186.623 1904761.262 2257521.966 2932083.718 2090878.502 1669888.831 2730894.767 2143771.34 2423012.727 1146120.42 2639757.372 4355904.638 3253434.608 Maleic acid 229048145.2 649751359.1 694560185.6 229048145.2 436420720.4 426206092.8 723843749.5 607122681.1 844809788.3 472251662.5 617650233.7 299849279.6 530442904.9 296692021.3 654141533 923511996.3 428600878.3 456867914.3 179390436.6 206317597.5 389612397.9 569370019.6 670781155.8 481860405.4 Trehalose 2072987295 20657668.41 65624907.43 2072987295 1023809375 1476327760 97743475.48 52847458.89 137869718.8 1189817795 640397012.1 1054368631 83256960.58 59924532.39 221783178.8 1195025738 1654739867 1422266326 112130972.1 272075255 83228543.13 1179384092 2038403107 1634764379 Isocitrate 150408805.1 383610187.9 365779942.1 150408805.1 236242570.6 252946175.6 247543818.6 333492538.3 325807933.1 163536489 261169183.5 155076381.3 265588684.8 321184540.5 287554640.2 275468393.6 167823758.3 189859936.4 277045688.2 244667168.3 387634610.2 203051864 235237164.9 139468990.8 3-Methyladipic acid 22824784.96 8779836.817 15630844.9 22824784.96 16836645.08 22005339 10654209.28 10018637.42 10234187.07 19630762.45 24065134.12 21690116.89 6631093.306 11537215.2 8983236.659 21869868.68 17662822.65 17363060.95 6279865.827 6210712.604 9462162.838 24932409.03 25601944.59 20085976.82 Quinic acid 22271354.21 10283644.72 7316519.442 22271354.21 769638.2553 8127513.556 11143088.49 9210455.848 9213617.284 12273379.35 6008420.102 10939264.82 4064092.417 8361746.847 7676077.075 14957720.28 12026877.01 8562186.658 5110624.681 7489593.433 10419413.05 11673143.26 4785139.516 9356955.062 Citraconic acid 12131486.45 35933080.86 43749940.78 12131486.45 10930575.84 11809230.1 22501332.37 41797543.07 30497010.19 8786236.442 14851538.93 9042070.667 28965081.15 37724393.73 30296511.3 170584.9252 13334315.14 10557228.62 43255699.86 38003826.53 72310550.07 10073074.22 15716459.51 8863925.272 Sebacic acid 29836572.98 3669593.392 6117537.772 29836572.98 33108211.42 38972749.59 5678489.261 8353084.99 2958245.122 31603463.69 24087186.2 26865086.05 6075824.621 3551892.957 4466551.032 29520944.36 30344588.11 26327549.48 1265988.894 2560351.617 2867367.14 18467588.28 41628780.01 23055481.21 Malonic acid 32486065.41 71844881.43 65152009.3 32486065.41 21152897.41 13823546.53 72633322.59 58135455.29 74323599.29 21002628.6 15714988.06 22430343.81 69218948.13 61500221.42 77354207.09 16437120.76 18990997.07 20175975.88 46480824.04 88092508.79 39373167.09 22566805.25 31943453.48 24184179.73 Salicylamide 10181282.98 6639407.771 5607696.434 10181282.98 24134052.59 35808479.57 3121902.864 3861016.517 4001695.387 11702233.18 19389235.61 15333308.49 4359271.807 3029493.206 3129531.745 12678284.37 12716479.36 8635213.863 2276515.812 2245371.055 4031864.148 30819197.5 18690546.54 25105060.72 Docosanoic acid 29206013.94 44556316.4 149105.8387 29206013.94 107378.347 41413854.21 22635625.48 25798464.81 29424.89272 27273234.67 27025957.01 57023203.49 98827211.45 58976302.12 17234131.73 18090782.58 32680375.12 29610779.68 64493121.74 43226594.15 47416017.42 56879207.56 50053244.84 83294469.05 Salicylic acid 48344014.79 281167154 344174020.1 48344014.79 62921824.65 50591846.28 215382809.8 364990361.1 144877051.2 57983727.69 51107068.02 119312930.9 152569619.2 252208457.4 346948343.3 52986873.42 44415551.95 34748470.3 106621754.8 252962396.4 152523667.9 48555354.56 33619779.64 39313690.02 L-Aspartic acid 81005254.76 17791594.35 16643344.72 81005254.76 152024653.5 92744881.13 12837165.57 18827945.23 17982385.07 122858940.5 70192348.49 77627078.55 12286335.64 11722999.6 9433472.992 66822595.38 71597743.92 86029331.5 8373828.976 7330472.6 12723221.19 110684669.1 97123549.34 64078661.54 L-Leucyl-L-alanine 27035784.37 41218228.55 21789770.75 27035784.37 21034943.39 26562286.25 18455307.29 16066645.53 57247638.65 24847364.91 63884573.23 40634378.69 20035912.05 23238918.93 13132850.42 16469074.06 11925672.03 34887063.62 20252388.31 34113120.31 30241433.18 36738156.07 20585450.99 36987029.64 L-Asparagine 1773055.433 984469.5143 1244615.807 1773055.433 7947882.203 1820372.537 1380275.747 1963194.801 3371899.391 3636493.195 3384693.096 76849.48954 290497.0359 3460011.652 2214081.876 906200.8181 813837.8081 2694014.586 554355.1895 1407249.429 1117818.091 21026391.63 2297202.725 1655034.928 Thymidine 7001793.321 17858562.82 24818682.05 7001793.321 6162380.957 9133344.809 31865440.46 51097310.31 47199806.86 13617069.37 14121795.41 13113276.02 14976632 19440537.27 23175405.86 7444232.109 5417983.385 4954015.09 10824102.47 15260775.9 4264321.022 8663814.415 10606975.94 10254771.23 L-Malate 1505392521 4304137641 4306724613 1505392521 2832527778 2839945115 4812703634 2215514814 5513591879 3166391276 3870422282 1903958466 1708619674 1954761140 4431235642 5799642269 2711167181 2939249034 1175994303 1350458866 2340813630 3558037381 4320151738 3045258416 Isovanillic acid 15984751.2 8660478.766 8833646.732 15984751.2 10846676.46 20972319.44 11041839.48 7840744.628 10852800.09 17425730.87 18191344.9 13489284.67 5474566.884 8076155.187 11505839.72 23061885.29 17778427.49 11528843.82 4747016.063 7311814.688 7194360.942 19429182.17 11609793.88 11677291.23 Undecylenic acid 37676599.7 90803933.89 46841797.17 37676599.7 31397572.14 34692398.21 37559691.69 52824950.66 43440348.54 28589707.43 21901520.87 22700537.26 50508373.02 33889505.49 43304952.85 25286367.21 17921545.79 17302580.83 34674005.4 42673449.5 37145443.72 17108139.93 28115343.33 16480133.65 Tyrosol 4666114.632 715389.0333 1209618.304 4666114.632 1966510.753 2127860.496 1761491.983 949933.65 1218469.618 2096525.985 3212684.489 2280670.675 1361174.956 1291003.579 1063647.924 2487092.973 1859891.919 1632666.642 849575.9953 1500853.644 1141337.587 2421645.433 4896866.787 2734077.847 Menthone 916962.0437 846833.2151 743730.6814 916962.0437 1132532.574 1125906.718 504581.7415 874834.0325 982508.3206 1043529.406 1029717.425 934101.8459 603001.8341 575725.7355 501679.9864 941167.5193 549364.0007 533913.4485 433232.2555 684389.8111 482620.0257 874017.9565 1017471.351 537551.6668 Ferulic acid methyl ester 3546457.322 2615744.155 1808346.015 3546457.322 2304906.822 2343119.704 1060338.447 2327666.195 2547290.317 2298429.791 2482062.716 1216827.337 2017406.527 2814168.944 1369216.641 3356543.037 2346777.146 949299.7295 1422784.976 1830699.587 1656525.119 2158294.721 1888100.02 878054.8084 Thyminose 15285047.19 9463873.551 10140612.64 15285047.19 14075611.25 12052127.67 8309795.413 9226402.631 9180036.54 16279804.2 16798551.73 23244215.36 8578523.147 9345508.264 8449219.072 14533336.79 11985566.19 22230520.25 8439724.783 8804542.892 9081777.969 13500026.22 13010767.47 14421374.27 Sulcatone 4487775.709 2672936.053 1924869.716 4487775.709 4656458.577 2538063.429 2300726.757 1966674.068 1832695.103 1927297.806 2487302.783 1684304.54 3892136.841 2107155.192 1889016.049 2126752.814 2139678.243 2019262.76 1806021.904 1512477.265 1821723.981 1990719.077 1897710.068 3579073.764 L-Prolylglycine 4468125.2 5509957.388 5988334.728 4468125.2 5132118.547 3331543.014 1575529.295 3239176.022 1874574.223 4113099.237 4400816.128 5414629.64 2234860.97 1267030.386 1066429.693 4775610.789 4161670.556 4361568.291 722123.6966 1061101.158 1415934.135 4247766.735 4044429.85 5027674.578 Camalexin 310951.7076 501270.4615 535232.3662 310951.7076 1501175.442 115661.6674 39945.69088 385634.3671 438118.6378 479561.2789 990737.0993 235950.4445 459512.329 31927.572 452898.2439 236282.4453 49099.64149 37849.36114 4348818.451 3381366.565 3544260.849 1144512.538 331564.9367 49686.97174 Euscaphic acid 17656473.35 34347.72116 30446.37347 17656473.35 46599492.21 50986177.45 317616.1253 22797.75185 34439.67889 59357431.23 29177852.19 43629669.6 63786.83309 2816383.251 2819049.642 38145968.75 23508264.94 18805814 26296.00697 3271064.158 2902713.3 19214754.01 25172144.78 24313271.91 3,4-dihydroxybutyrate 214007.4623 438477.7607 280136.992 214007.4623 157465.1309 229224.408 580149.7744 249641.2216 510836.3161 254565.1013 136612.2716 65789.58502 562098.7043 405422.7025 358441.362 164179.1262 282309.107 72775.11012 134451.6435 383413.0983 496983.5989 70996.08336 70224.39941 56159.22762 3-Hydroxypicolinic acid 4895741.231 4646966.272 4271353.487 4895741.231 5029013.891 5064088.703 3769557.478 3963732.287 4419492.678 4280201.766 4154894.306 3991327.563 3561451.071 4059945.758 3785036.985 4475648.311 3943262.523 3662016.355 3035433.142 3150823.233 6886784.126 4052975.212 3580996.811 3402239.645 Itaconic acid 147090233.5 309145329.4 286466894.4 147090233.5 205873019.6 231194432.6 201309835.1 261010568.4 264824453.7 158791529.9 226445518.8 149456981.6 206050773.5 252526459.1 223781820 238831650.4 146800424.1 156030338.9 217923195.5 189475797.5 271164018.2 182366724.1 203499120.1 129855140.1 2-Furoic acid 162187698.8 858840407.9 811600391.5 162187698.8 312852540.2 303535350.2 429934791.4 805774301.7 715856039.5 203358600.7 311404999.4 160840108.9 624211509.9 704029887.1 603839413.2 339309630 236860059.4 231110298.7 797089782.5 703082663.6 792471723.4 271321568.9 394701661.6 180945816.9 7-Ketolithocholic acid 1382306.339 2394371.85 2300203.176 1382306.339 2471904.301 3794433.743 2281559.065 1541458.088 1734480.104 2221858.438 3275781.815 2561878.095 1611827.804 873507.5965 1348459.521 2080540.904 3229552.535 2618711.416 62096.37827 1047428.119 1370208.136 6206710.514 13757854.81 6497689.314 Colubrinic acid 37558790.74 73187.64997 3553492.871 37558790.74 27967407.64 30681679.67 210771.5201 1946460.161 1681059.216 23053269.87 27727466.72 13583623.2 292421.2795 40025.47505 2661869.625 20004697.05 13909555.76 15887959.41 342830.2695 32609.8001 2700817.816 13437577.9 31646973.39 27777933.53 Benzo[d]isoxazol-3-ol 1015196.533 466431.4266 764837.7854 1015196.533 867580.0474 943542.9254 446469.4156 866392.5612 966430.6553 839102.4897 629185.6167 805962.0613 738067.5016 900637.2926 849769.9691 433711.4937 893939.8922 355741.5357 666289.2503 327534.5446 560677.7466 561781.3086 985944.2813 395382.07 PA(18:2(9Z,11Z)/18:3(9,11,15)-OH(13)) 23759133.03 83736914.58 116764287.8 23759133.03 22896785.7 28357638.64 88159272.63 83804276.18 118629500.4 43306879.33 65709724.96 30440479.75 75447656.75 108454970.2 62610912.81 43215129.55 35684725.26 20417899.61 77592479.1 88982761.38 72253177.91 30264129.61 47445430.8 34838749.56 LysoPE(18:3(6Z,9Z,12Z)/0:0) 975090.2763 10921257.43 3109855.52 975090.2763 1407985.384 1259760.716 13024795.25 6535585.599 13135690.5 1646576.379 2419429.453 1258518.36 8744173.08 3813156.671 10003301.66 2489405.014 902564.2909 1824060.988 14773514.43 6564176.315 8017930.748 2332143.6 2978173.578 3265162.096 Viburtinal 5725964.318 1268892.77 1695908.673 5725964.318 3050744.778 2186602.12 1076911.933 1386604.527 1773674.084 2001033.023 4911595.503 1936672.972 930846.3156 2382485.382 1499184.815 2555618.932 3386837.924 1651435.746 3084630.474 2594153.877 2438026.763 6178284.717 2672501.23 2337931.155 LysoPG(18:1(9Z)/0:0) 12545570.71 138370858.8 87205758.44 12545570.71 6443465.369 7365216.735 71103151.32 131938504.9 78561665.13 8225087.556 9866801.484 13269302.34 202992216.7 129850688.6 65803543 15663981.57 8245624.654 8052132.672 176458987.4 128717388.4 105428517.4 12179668.18 8497555.428 12872727.27 (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] 5204099.306 420363745 195828222.2 5204099.306 3173962.261 3427194.425 147882086.6 522508765.6 331349059.9 2770224.147 3794786.12 3290174.197 409585889.6 327641641.2 328740399.1 4027592.277 2887737.901 5615162.932 481479196.2 329914740.1 347848363.4 14103070.45 6635028.761 4859426.273 14,15-Epoxyeicosa-5z-enoic acid 3467439.369 189216.1024 300487.152 3467439.369 5514234.24 6722070.564 676533.7479 527360.2186 257689.6008 5791973.296 2952003.718 6211381.894 142387.6154 555696.6714 136788.1524 6462268.747 4399589.577 4680553.858 153760.225 535156.3248 79037.51796 4314429.517 3815239.765 6476174.467 6-Caffeoylsucrose 2214058.448 71521533.76 113005844.3 2214058.448 5545305.357 6049357.202 50866641.72 99139126.15 77984465.4 6456288.254 9651517.753 6108637.468 88905369.92 103910442.8 108492405.1 5485784.832 7075904.809 6589979.116 117778534.5 144722384.3 182286703.1 12600497.01 13800370.25 13585910.98 PA(i-16:0/5-iso PGF2VI) 4588232.714 4523705.052 3511598.935 4588232.714 6604246.231 5439922.2 7654701.044 4520145.937 4398849.088 5284667.654 9143692.593 6010517.485 5267101.085 5858141.107 3816667.61 11828173.86 13167765.71 7221032.228 3123232.013 3958468.086 4183419.191 9330452.82 9232350.447 6626621.192 7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside] 3733714.627 12814331.32 12265958.5 3733714.627 3809002.069 3046944.076 10784294.86 12153468.53 14072534.81 7806864.546 7803250.745 4955982.566 7729859.53 12491005.18 10688041.29 3659704.836 3879355.464 5613005.339 7243111.874 7335593.631 8738300.063 16009358.83 6512244.295 9130994.855 Erinacine E 227107.0589 424813.3771 67313.05353 227107.0589 1471718.733 2048761.175 429443.8441 1991669.925 446301.1704 1089158.541 841010.5074 1413124.383 5956725.378 1887496.817 152431.9431 1046348.159 686934.8703 1666578.551 537689.2228 284400.8826 1052134.101 1496736.894 1677070.573 1168352.106 1-(beta-D-Glucopyranosyloxy)-3-octanone 22411338.13 16249473.66 16225993.24 22411338.13 15742339.24 20617595.26 12335295.45 21304147.87 16724404.35 22402076.68 33376111.46 18297735.62 14541760.53 16900940.05 16772786.3 32859021.83 28092656.19 26394172.82 9709312.932 12708580.74 11498555.14 25311949.88 34902660.38 26847831.13 Mahaleboside 13620549.44 16814368.35 21053968.11 13620549.44 5592019.708 6562488.68 13333950.45 19535476.24 21358589.96 8051750.425 12192092.61 7256224.133 20886347.42 28740651.34 14441494.98 8968646.381 8331204.165 4415294.992 18543418.78 10458603.42 15457363.7 6670754.655 11855739.7 8659339.81 Ilicifolinoside A 470778.1441 3307094.115 4683659.666 470778.1441 230275.5596 609151.1072 2349221.366 5863403.768 8557147.217 335962.5747 547904.5265 185306.4401 1788954.716 3318969.801 5035755.221 657887.0217 416848.5397 320322.4391 21689714.34 24162597.02 19744170.51 1112746.235 816763.728 638852.9584 Ribonolactone 45633743.23 47229167.11 44230696.87 45633743.23 41318069.84 60495279.8 40243426.63 40055858.38 52561153.73 45171815.98 49042276.23 42245714.28 36973384.67 46341898.86 45784620.31 43098703.98 34828721.31 33674451.63 43524543.13 43051168.64 69301169.85 46287708.07 53036904.79 38593717.02 Benzoylmalic acid 592543668.5 432481685.5 495734016.8 592543668.5 620256477.2 523529287.4 379390460.7 435477965.8 347135395.6 411162241.8 720604184.7 670648025.1 334585624.2 535254031.5 414822058.2 794422430.2 424835943.9 417163850.3 458768199.5 524045000.7 404450388.2 403718065.9 474669887.9 512584408.4 LysoPE(0:0/15:0) 4283798.102 512772.9941 522311.7035 4283798.102 4362576.263 6137981.314 750744.1709 439894.5756 532258.697 5853941.956 6758223.682 5516425.235 249884.4758 446694.5511 557446.3526 14623956.44 5323827.967 4136132.34 775471.4154 1546905.33 569669.6955 6335739.588 6169638.662 7917772.548 Glucose 3-hydroxybutyrate 7864283.52 107078943 79143267.95 7864283.52 10948100.82 9489952.497 84312279.88 114163733.7 107327210.3 21065212.69 23217085.26 14884457.58 271829444.9 125825757.8 85127741.52 14463262.57 17210690.68 13644195.66 103928118.3 188581940.6 189934900.9 20661082.4 19488014.86 18984762.72 Maltodextrin 91121124.27 4384317.641 728274.9659 91121124.27 35332861.94 53437623.25 1142872.976 755801.8238 976297.4722 33679847.98 17727455.16 59670079.8 1436341.901 1328198.068 2354779.911 55700058.75 66342034 59074343.41 1035260.597 3084890.545 2157623.765 51044535.18 87137286.19 64158060.1 5-Heptyl-3-methyl-2-furanundecanoic acid 15260198.76 2365553.198 2056532.155 15260198.76 24188293.4 27952123.77 112025.1247 39654.80566 1395587.29 15486537.71 7938936.348 14403275.56 1669559.798 1199247.488 1128455.582 6639421.106 14913944.96 15820628.01 1000149.279 33659.60778 1724481.097 5572528.285 3461994.431 10329058.04 Bis(2-ethylhexyl) hydrogen phosphate 520618.9909 295192.979 434213.8063 520618.9909 828198.2117 1157693.584 348483.1209 620130.7526 316160.3861 642364.4334 1555907.382 1055305.255 446949.025 358158.6947 390674.7164 804133.7606 543325.5727 351615.958 584669.5033 1364526.156 936987.9792 1203535.889 1559498.175 952434.6265 LysoPG(16:0/0:0) 138696840.1 719684622.5 562084604.7 138696840.1 129576771.6 107487841.1 558377527.3 641231275.5 454000222.6 113849817 87553275.35 204154816.9 849595931.8 508500481.5 528663179.2 218227875.1 245929410.5 203460289.2 508759727.6 480509270.5 399604043.7 203189106.2 163028507.5 241542402.1 D-Malic acid p-coumarate 12260795.32 920259.9397 2410098.059 12260795.32 4581585.339 4591454.246 1845589.204 1812684.809 3785154.283 7619493.611 14125328.93 8273710.716 1699884.26 4348746.89 2234292.924 9130625.838 10780646.31 6556286.981 1410019.903 3087575.796 2798045.72 5794027.841 10945994.6 9043865.33 7-(1-Imidazolyl)heptanoic acid 1432595.494 5892653.775 5240768.801 1432595.494 1126606.209 1482844.677 6635776.494 5053067.168 6165580.055 1652362.681 1393279.204 1194634.243 4193571.543 5969225.847 8099828.138 1939071.16 1224803.524 1046073.853 6128978.856 5264456.296 5758764.93 300142.9869 1776206.693 1956747.77 Glycerophosphoric acid 61950.27691 548195.4059 218375.7371 61950.27691 81454.65879 80145.82945 795686.4076 334653.6162 471138.9276 341303.0237 47380.37746 35591.54851 581524.643 913479.8846 446942.1489 254900.0526 370731.2796 38052.29933 344707.7037 429247.6066 197733.6566 333469.0953 116575.6953 112726.2241 (1R*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol 9-glucoside 4127444.78 8747944.147 11023126.03 4127444.78 8815138.654 9217783.604 9362177.127 18694441.05 12759573.17 7685562.51 9961538.702 4633993.42 11865676.5 10456190.41 10014117.49 6549190.139 3759336.408 4813173.393 6544050.909 8833862.272 8409661.945 6571797.483 13682939.19 5449038.654 N-Formyl-L-glutamic acid 606890.04 371248.9145 366905.8858 606890.04 601411.1703 507369.9862 254731.9756 448774.3125 445234.1048 707837.5246 1947413.857 927630.0158 289566.0479 207308.0731 440148.6167 834663.1507 728938.8842 693860.1403 114437.6632 226386.0941 465725.6572 1364760.993 1580147.032 1357860.29 Ethyl (S)-3-hydroxybutyrate glucoside 8775957.048 288595119.7 182895960.9 8775957.048 11923958.92 11883909.95 173268165.8 223507284.4 290073847 15295142.24 20460561.67 5153820.715 262774964.2 372690670.9 198485422.8 13605857.61 10488102.08 10558922.6 145292130.6 175821470.9 168938381.8 25381592.68 16702153.95 17264273.79 Ucriol 8575101.306 461682.3805 1077436.024 8575101.306 11104798.12 18227772.36 1674876.059 1120845.668 436839.3838 31756773.47 14287183.64 22276941.55 719043.9341 553755.5732 2470322.031 20790796.26 11840188.66 4947258.265 366635.5677 580866.6267 247214.5611 3351925.906 5648493.486 8109969.584 Glycerophosphoglycerol 234964537.3 49711630.83 40045363.36 234964537.3 116806414.8 260276150.2 87274821.4 47536560.65 77199745.08 116666322.9 86485507.51 177173727.1 64106379.44 86742037.16 103689489.7 190006691.3 194927663.3 229532254.8 59093848.97 63175254.56 119982668.1 327495129.4 334010234.1 192700150.9 1-(3-Methylbutanoyl)-6-apiosylglucose 3148499.215 44191133.28 36950442.23 3148499.215 2540318.282 2088143.551 40278191.43 61521107.51 66084761.96 4648287.977 6896293.158 4359748.666 47186852.51 46596318.14 66126553.26 4577076.411 5528899.152 4027396.865 122106375.6 34491739.87 35419721.87 10730847.82 18329300.69 6831721.06 2,3-Dinor-TXB1 264774202.1 89951846.02 55730165.57 264774202.1 202413348.4 118673891.1 111748768.6 89391597.22 70328662.33 174929494.8 91634140.69 235918729 77674362.97 67856186.93 121035783.4 210496369.1 295080463.1 227044819.7 42390623.01 41134087.16 49636743.1 175837741.1 119725668.7 189443814.8 Myricolal 9744683.131 9920234.902 7615745.375 9744683.131 5126062.218 7720424.825 4875150.983 8067500.383 11393235.97 3208037.279 7183691.772 4219484.328 7237353.579 9017382.029 8563844.785 6788579.499 6122045.107 6003279.025 11308807.05 7952495.996 10915672.28 3356006.186 10573560.25 10111994.19 3,5-Dihydroxycinnamic acid sulfate 718517.9553 747574.5437 271787.1252 718517.9553 477747.4443 561680.3934 719926.7699 1192186.268 924662.7083 148959.2242 94416.52345 796360.6472 1313919.47 1355890.906 253858.4217 546615.8017 194500.4059 433752.6945 2459239.191 1139535.608 1099810.398 120644.2209 765989.9778 149723.6846 Phenetole 4496005.938 1019271.599 2081647.736 4496005.938 4788985.748 3055818.958 5010239.934 465143.2681 655960.5667 3776813.654 4793242.31 4328234.396 150913.6346 165875.7823 2336828.145 5134965.511 3869213.819 3809840.723 144340.122 1195309.739 3542601.758 6254964.699 5652777.971 4347189.159 4,6-O-Ethylidene-D-glucose 9398632008 524641533.7 1808399189 9398632008 6494340496 6171792968 1133824058 600118144.3 1195820289 8796011151 10729645951 8703895570 319457539.7 632926537.1 597729464.5 5487791271 6182175736 7728630869 377472902.8 306852158.7 862120897.5 11617216383 6271430301 8420996833 2-Hepten-4-one 572659.3261 9162455.568 8397604.015 572659.3261 633646.4465 1051274.663 4262648.724 5618291.768 3801042.565 715338.5543 807283.2967 728998.8841 7282239.667 3855803.672 6514030.189 762762.1523 459402.9442 474362.4048 3739960.729 3100019.487 6930214.39 352259.2515 1168283.978 888873.4593 Gaxilose 194139.3999 1316261.478 200002.3621 194139.3999 1309735.539 261892.2438 1481396.786 560063.0944 416215.7231 2324422.529 905325.9893 1261648.86 478405.9815 586161.1918 967358.7274 443723.6018 631537.394 1936074.556 147172.8367 828099.2414 314912.8191 2103185.361 1542040.226 1210858.005 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one 37153202.07 6402980.266 9050772.276 37153202.07 28108522.22 16739295.44 9447563.77 7328285.196 7910746.453 37193871.7 35463622.54 29767374.52 9546728.075 11526805.45 12080102.97 30299692.4 29116761.24 29717058.25 5825763.666 7255493.945 10464490.04 40172150.19 21033598.77 40460239.18 (+/-)-3-Mercapto-1-butyl acetate 4030200.423 2126919.577 1893083.52 4030200.423 5328065.77 4155211.364 2332637.3 2368573.979 2083299.942 4796415.732 3579775.499 4627540.236 2130922.651 1840437.565 1926210.788 4014311.474 4012578.705 4188776.919 1501744.931 1603927.842 2406857.359 5620966.344 4183506.958 3871798.228 LysoPS(16:0/0:0) 1188425.487 1843050.063 2336156.178 1188425.487 816909.5747 783123.3627 2404503.099 2796845.388 1792528.218 1251041.724 962366.2903 1587672.739 2078967.929 1968861.804 1886434.309 2212679.614 717703.3646 1445532.281 1612831.564 4135482.963 1747088.878 2073614.056 1003383.632 1853066.656 Glycyl-Threonine 88140191.44 1701197.936 2605299.723 88140191.44 118006871 89791744.98 2850648.148 917065.831 1478242.334 152212668.5 89827859.93 52446556.85 559220.0209 2354279.603 1117726.644 84785080.29 79223420.11 117141175.1 957190.8004 183276.7802 1484222.341 142849203.4 125373589 145426400.5 PA(i-16:0/PGF1alpha) 14651478.63 11723008.24 13170117.91 14651478.63 16704924.63 16065506.88 13664169.28 9680578.62 10499632.86 13266404.05 20027301.51 18830616.9 8391632.763 11900069.3 14648039.59 13938336.43 19364940.26 23184486.66 9248464.78 10390332.35 8844050.62 21686766.81 23523080.87 18787651.38 7-Methyl-2-(2-furyl)-1,8-naphthyridine-4(1H)-one 4546411.912 2702375.681 9438226.818 4546411.912 9269964.469 7737041.328 8905830.09 5294392.837 2830451.966 5004490.402 6057777.177 4928789.676 565685.5179 1987406.291 5999641.81 8845026.493 7230562.431 5746027.552 436923.0586 8576190.721 4665913.548 8407540.335 4037322.091 4007528.252 3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol 13743507.15 1811193.431 1049245.085 13743507.15 17114942.17 23162142.13 2075261.361 2076013.774 1383504.564 18302572.47 11946224.66 12731085.23 2706976.67 793090.9257 1576180.706 13614565.58 13342411.53 14950615.49 631439.0288 216515.2632 596254.8947 10777756.88 12644086.96 10630745.81 LysoPG(18:2(9Z,12Z)/0:0) 2134434.97 95283969.87 44245210.63 2134434.97 2270111.867 3622534.89 62028995.56 72763279.03 66914390.78 3655855.972 3143946.43 2758374.994 161851491.9 68420575.81 43823741.88 4585000.39 1776483.548 3053084.257 171870160.7 73934680.62 96477117.96 3167420.322 3498026.09 5374159.907 3,4-Dimethyl-5-pentyl-2-furannonanoic acid 6373166.433 2055091.013 5064956.228 6373166.433 10149212.97 12873093.22 3688533.674 10267005.51 2242500.387 16548731.69 10776051.08 9443977.663 4158143.234 1537357.883 4142167.824 15866014.03 6518122.493 5662418.574 2017664.541 3255371.187 1658452.92 3497234.491 3807099.836 5666914.191 (R)-Pantothenic acid 4'-O-b-D-glucoside 10955362.69 42123975.08 44501942.04 10955362.69 9122089.49 11149137.29 46343184.41 59341029.16 57962974.6 9331633.402 12301255.89 9585605.572 51172406.81 54540554.56 52363204.6 8228460.237 8671282.747 7954854.887 69286151.24 68083407.19 54272871.16 14505836.83 15051108.49 9916830.365 1-Stearoylglycerophosphoglycerol 2088220.806 28255738.47 25280933.63 2088220.806 1120818.14 1301802.41 11010275.66 26448661.49 22056602.32 1973429.399 2221631.428 1848869.866 32276138.2 32622694.64 12026206.86 3966405.227 1384467.091 1538737.848 16578453.33 13643977.29 9487579.326 2482849.012 2726849.772 3088646.859 D-Ribose 5-phosphate 3717019.916 378387.0672 402916.497 3717019.916 1862862.025 1906014.887 2079043.035 331531.5726 694608.2747 1911297.745 1309502.506 4059936.629 486998.7361 1796653.468 2027810.1 2312765.944 4105291.248 2948912.087 687133.4081 695472.3679 655406.2202 6694733.062 4812190.363 229517.4729 Methyl sulfate 40226159.32 39402602.62 34193415.86 40226159.32 65375086.86 67270333.53 45884794.65 35641466.42 123305060.6 63287897.12 58380791.43 63432242.59 29265810.75 42513873.11 41157419.1 66431581.41 50592705.2 50276381.81 28722499.48 23167001.6 35040867.33 60743939.3 92319651.39 61977325.96 Sterebin D 6634502.164 6437599.56 3209493.486 6634502.164 6787884.396 4741028.579 4372381.673 3503285.181 6545494.049 6119511.551 5287090.435 4480962.194 5653497.216 4743469.82 4365392.544 2620940.53 3234748.963 7584828.116 3544073.351 2551691.894 2369339.12 6173411.712 4080149.206 4736844.04 Ficiolide G 3595081.547 1313240.489 1734229.068 3595081.547 3248308.562 5095364.115 1702647.156 1849449.427 1195759.017 3009021.585 7115497.276 3594941.017 1172043.138 1073281.132 2054018.83 3754510.558 1562343.294 1883746.125 2232266.246 1574274.477 3511763.572 3319116.715 3603182.729 3997777.287 4-O-(beta-D-Glucopyranosyl)-D-ribitol 9242376.964 19990537 18405615.65 9242376.964 6617024.147 6404138.198 16512679.3 17951375.53 16503322.45 7018859.515 14348290.9 6421332.922 18142392.93 18483955.11 17353864.43 7217983.532 13892953.81 9495220.26 20793511.27 19026667.78 14301374.26 8547840.496 5167034.529 9440955.613 9-(2,3-dihydroxypropoxy)-9-oxononanoic acid 33605000.34 5858757.355 10326104.76 33605000.34 37081364.89 56761354.98 9047403.45 9703454.089 5912640.247 40661528.21 47854662.23 26815301.29 6979706.385 8458703.67 6477701.37 45460652.77 27559872.09 23571556.35 5229946.313 5625628.063 8836967.897 35410728.44 39885325.84 41867297.1 Dodecylbenzenesulfonic acid 131867444.7 53849271.65 67555598.66 131867444.7 155261974.8 208979143 53472842.51 67944106.57 46561505.28 118495466.3 264396305.9 142712781.8 58277459.06 49949223.89 72996491.49 141530121.9 60703503.92 62652034.22 85254596.54 61811971.32 120798418.8 100390743.5 106864001.6 115181248.4 19S-Methoxytubotaiwine 1325855.71 1623442.839 1317387.743 1325855.71 2111938.793 2948680.665 2758257.788 2078819.072 2273432.653 2683823.868 1577168.689 2475193.342 1832675.76 1178225.536 1290180.413 2791939.891 1360603.285 2042441.653 1379863.084 1623982.541 1960200.531 2247939.215 2080947.732 2074518.75 Phenylacetylaspartic acid 419556682.9 134650264 159688557.6 419556682.9 51530957.06 54675935.67 82790916.43 166397539.1 252044110.6 56466139.16 156552392.9 64350782.42 143778264.1 304995388.6 108479297.2 144272763.8 152747077.6 293751179.8 89980688.33 96845909.43 111370794.3 126176881.6 91058381.02 75271836.74 MGMG 18:3 23330442.91 536164765.9 269760483.6 23330442.91 27618893.05 22748039.98 426700847.4 427592659.1 385957863.6 19720434.75 14049785.31 26599228.64 889869281.4 447498127.3 405136414.4 32894421.73 17126454.94 24035701.12 782229396.4 469636116.5 510468197.9 51647274.74 28786478.54 28201007.85 LPC 18:1 2029521.848 7612294.529 6279042.219 2029521.848 3150062.712 6415785.444 6986057.369 5934421.043 4069147.981 3900434.358 1773999.072 4828143.088 6440099.515 5014811.413 7432692.173 4477465.747 3819626.186 2860321.54 8489051.907 9168070.786 6270387.679 3326722.922 2958989.726 7533932.544 Lauryl sulfate 594022561.9 421638172 434714260.4 594022561.9 532240745.5 1091793900 393087297.1 586022955.6 287427006 1357304263 908573793.2 785007837.8 511385864.6 208421391.4 286266432.1 738415053.4 289471534.1 479927854.9 424018445.1 288007910 299417486.5 224141308.1 812336717 581777812 Sulfo jasmonate 460633354.4 319388390.2 461258843.5 460633354.4 128692815.3 108353278.5 147725867.9 376433607.9 163258454.6 143658179.1 731432936.8 224363996.7 116422219.9 401402622 328881080.7 126561303.8 265186662.4 171049128.7 325221786.6 336357197.1 192953604.6 369870508.2 102947337 196623768.6 Xanthosine 3166926.003 2247856.422 2524369.319 3166926.003 2441039.599 3478212.909 4249545.516 2739707.231 4264563.485 2215258.961 3801140.991 2817304.379 2731892.634 3497811.389 2846666.819 4462757.457 2529427.343 2942395.128 2253146.122 3065968.558 3596925.649 4210830.898 3531591.152 3143374.747 Lignoceric acid 1294714.538 59026749.87 29141472.43 1294714.538 1529182.777 28938701.35 30774927.6 33020635.71 28529951.92 1122573.339 17389221.44 61411004.94 69900373.7 67510281.03 24855288 40933.939 47147.3976 31227883.08 24710440.04 29839449.19 2841963.913 19607167.83 21439223.95 37167969.21 3,7,3',4'-Tetrahydroxyflavanone 1999780.383 3859256.029 2835004.614 1999780.383 613650.5166 611749.223 2684130.732 1375450.266 3269323.769 1749837.849 309446.9182 1940013.979 1373586.164 859783.759 1581347.929 407544.8241 479209.0995 148951.4646 1002209.14 900443.584 709056.4851 133840.1945 977257.2864 269376.3348 beta-Hydroxymyristic acid 34613821.35 3314909.474 3255471.117 34613821.35 30500234.54 81728048.28 3552640.111 3066685.712 3346628.497 64214937.19 81464153.62 30505873.11 2311780.844 3608170.786 2814307.294 52776535.14 28077839.36 14038807.11 2841117.952 3029932.652 2366986.186 28032975.53 41898703.79 31548107.42 P-Toluenesulfonic acid 5399673.649 4735490.016 4404791.999 5399673.649 4884702.742 5592204.901 3606850.546 3773735.238 4392548.328 5310730.197 6204148.482 4412249.903 3802016.667 3571419.733 3708848.866 7351409.009 4874208.031 3005982.853 2646130.615 2458784.434 2965295.947 3802355.79 5490531.931 3895107.725 4-Vinylphenol 28956974.85 438236609.6 411873644.4 28956974.85 19206160.04 11500038.43 355804191.4 449589260.2 416595379.5 23576048.06 27348434.55 14899385.63 589442897.6 605280748.4 355018438 29618675.46 26932406.28 20812215.6 519508484.5 304157368.1 422632810.6 22627195.49 31013309.5 20957409.36 3-DEHYDROSHIKIMATE 1786687.281 1767908.929 1202382.274 1786687.281 1375311.564 1391032.964 1590213.095 1527163.574 1616247.388 1293380.199 2145597.13 1314903.88 1253069.002 1899565.733 1142667.021 2367008.256 1668845.505 1517635.679 996305.9079 701359.6876 709428.8192 2199187.998 2565419.985 1981059.518 Tetradecylsulfate 205212083.4 155465189.2 163326179.7 205212083.4 201224587 327651497.9 125934118.5 189583158 96314298.66 509809653.6 351148425 287852463.9 188235730.1 90147664.6 177952244.5 347120624 141359183.5 261904120.9 184575958.1 118976393.2 123629784.1 104866584.7 290636593.6 201189831.3 1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol 61340741.33 126698561.5 124007089.6 61340741.33 27254229.78 24062341.74 150133499.3 117238391 122881847.6 31630316.11 32522354.53 64750401.11 175362747.9 168351718 157876894.3 118094266.8 30803445.56 41616622.89 167800728.5 362160709 138700492.9 110221353.1 38965355.84 63010862.2 Pyrolaside A 16166636.25 3019478.862 3093795.93 16166636.25 47285667.29 12080794.36 2356204.824 175905.8243 1672781.91 21314094.99 31651504.43 23576282.42 2615141.204 2492517.668 2417597.057 12972823.31 33402777.38 25603499.05 242515.7268 2946636.232 174994.1796 10510568.46 7297881.705 15017715.33 Kunzeaphlogin F 7372072.963 7403048.229 8337551.663 7372072.963 7309449.437 2654917.474 11110731.17 11217735.24 15234743.83 3381369.733 6282069.254 5630341.065 15907977.88 13772785.29 7479514.147 8166453.663 5327633.831 15609440.39 21096332.09 15311241.86 15258533.57 6444076.165 6120269.328 5162879.576 LysoPE(18:2w6/0:0) 4832761.984 70655208.4 22448373.07 4832761.984 7096127.088 9238025.351 47398288.18 15437933.38 30631490.66 8477881.974 8372463.046 10165176.34 25147516.71 16354726.24 27789517.11 28806651.65 6230246.718 8839260.97 46760233.45 28602181.18 24695011.65 10729682.73 12909484.46 16254378.44 Sachaloside I 3291078.709 15405537.77 18135870.26 3291078.709 1033061.59 3638115.425 16738896.02 14175158.76 20204043.12 1652076.899 4358318.686 2046973.956 15801410.2 25292601.65 18067293.97 3993685.776 2585915.13 1092814.59 32141315 32425996.75 30091100.08 2106751.146 4461266.239 2687079.65 PA(18:3(9Z,12Z,15Z)/0:0) 84309677.78 149411652.9 72759182.29 84309677.78 156817554.1 145268718.9 196222275.6 41543336.75 171110535.1 167513372.1 114208676.8 82339196.88 138144627.9 100539976.2 189963140 223325379.1 63932618.32 118494988.8 146958538.8 125963393.3 140243186.6 154208322.7 217660099.1 180504841.3 Ala-Leu-Leu-Asp 10597085.98 17824689.48 11594571.97 10597085.98 5121434.807 7080373.45 5109483.413 5198817.269 17575293.15 7016507.658 14589175.97 7686218.254 4155428.162 11350559.67 4569916.892 7803514.924 3696998.55 5656017.426 7318874.174 3206991.99 6479483.463 8957329.964 6417980.211 6453839.906 mannosylglucosylglyceric acid 33727589.55 1050074.602 727838.3063 33727589.55 18934290.92 26685386.07 2231293.774 1326348.958 2455794.119 20756569.78 16890409.46 29980908.42 1088532.291 1750396.71 5274605.127 21482254.79 27707226.75 32497222.79 1609005.673 5707280.593 1915456.041 24162629.69 27696449.1 27988163.52 Maryal 5587060.462 61123557.18 46676984.76 5587060.462 6851296.06 2414239.12 45398262.78 68718614.61 51948790.6 8448981.485 10285415.56 4012053.223 58466644.36 47914876.71 49860793.57 7771161.851 11632522.71 18080350.95 77637254.32 32964577.05 60313917.91 9569837.693 10959860.33 10425047.37 6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate 461648234 28719992.14 28807484.22 461648234 155121751.9 118236014.1 31156377.77 38320912.34 14741395.21 156306880.6 411363132.6 168508760.4 37379523.85 28616633.11 25985232.46 260453754.1 329714449.2 243259552.5 25616783.39 25074388.09 28013506.78 178274789.9 274102170.2 192891396.7 1-(9Z-hexadecenoyl)-glycero-3-phosphate 5752825.173 37233932.95 25228255.88 5752825.173 7831266.375 5306243.197 56714801.05 30359351.09 39389680.11 7417101.373 3915752.494 3587478.911 54149096.17 58613169.39 33261550.2 10273971.61 3405132.182 4829793.863 34164016 42194678.47 32060917.34 6259650.721 4695818.6 5270295.822 6-Deoxylamioside 8447281.483 47262956.38 38420003.96 8447281.483 22960449.95 21995353.24 41538563.54 19829647.34 56298463.17 60619043.38 22599831.36 17508204.77 39884958.9 49522352.98 29115098.21 34274851.03 16093051.9 26823492.63 38642663.98 39048282.27 35825882.28 33737052.49 25334418.8 39366165.52 Benzyl beta-primeveroside 11686798.91 289578138.2 194867018.9 11686798.91 4841012.508 4309755.483 203707625.2 336930919.7 265579529.5 4469685.753 15501086.91 3087629.669 258537512.6 347109547.8 361779620.3 5062896.664 4332128.16 4563239.931 175690804.1 210970161.9 181496248.3 9976813.355 6245696.298 4091923.503 4-O-beta-D-Glucosyl-sinapate 14477392.5 141513003.2 102035200 14477392.5 9326374.991 11112960.7 63620817.69 133043000.6 159486757.4 15746483.86 16367029.45 8952741.012 49799783.35 101783659.5 176797160.3 10794926.52 9639551.688 7565526.72 60720150.46 62209482.85 64604318.98 22280260.83 20734122.67 14367160.91 Syringic acid beta-glucopyranosyl ester 252616874.9 23322616.37 20459138.65 252616874.9 72090048.49 89057005.31 36315502.96 24930560.68 28519609.57 44774553.5 149980801.9 75881621.85 21299353.64 15907405.41 18593888.56 72335894.69 93976212.54 79163184.6 9642359.667 12252910.43 25817707.28 53196862.53 63453760.77 47000530.33 Glu-Ile-Ser 17490553.44 24557883 19531896.17 17490553.44 17019291.65 16669948.89 13649708.8 10924603.76 22550463.3 19961659.37 23333177.91 24556976.75 10571089.47 14704899.69 9506040.169 12341516.86 8215539.27 10747602.93 17132202.11 12636187.82 14073771.85 13896021.7 16324863.55 15331508.26 Tianshic acid methylester 300168911.6 75457725.59 55837582.15 300168911.6 249309468.4 169721450.1 142575438.3 84777235.81 67158551.2 273976585.4 135798742.6 413984902.5 49170128.99 55047569.6 118089535.4 288449856.2 463224245.4 285497597.3 34488456.21 50641429.54 49934723.66 243888443.3 174782176.9 320921536.3 GroPIns 254786650.8 155817969.8 144704156.7 254786650.8 133909329.6 222163897.1 174546490.2 92925218.08 173885617.7 155881416.8 95851271.26 190980651.7 137956898.2 241850449 203724917.2 174125050.8 173974122.4 200661396.5 155419167.5 172071885.1 175113487.6 251237098.7 259761989.6 213128877.7 9S,12S,13S-Trihydroxy-10E-octadecenoic acid 4270924096 687240682.5 723180132.8 4270924096 6073428868 6267168100 1094334037 837438604.9 679714640.5 6113394361 3843611391 5724537910 375519405.5 402495849.8 536809755.3 4378403436 4668076296 4444257918 236234583.8 364006418.1 395352576.5 3724222855 3552328153 4542835053 20-hydroxyicosanoic acid 1299814.432 7629028.409 10771851.71 1299814.432 618265.4327 668923.6152 18245134.57 26353795.86 23458772.06 1020476.759 1262537.125 534865.021 2459615.951 35342245.42 18215373.79 962199.6139 914656.9264 778153.0605 5726557.201 56120543.64 13169197.75 11954310.79 9569199.341 2085492.036 (+)-Neomethynolide 23640630.92 11401407.11 10918134.12 23640630.92 11051170.86 13621407.46 10783447.01 9211892.233 20933291.63 11051992.32 8682968.974 10819913.62 4773431.257 8945333.751 8100516.638 12050242.45 8359232.07 7546474.011 2986826.907 4041875.789 3961514.444 13301726.43 11127915.9 12183820.36 6,9-Octadecadienedioic acid 423857742.9 159087919.8 165161055.6 423857742.9 529062211.2 549777584.3 263618916.3 276979789.5 167680421.5 557894571.7 274185117.6 543390914.7 214545307.2 202698636.4 235588823.5 502312237.5 478210352.8 523263403.2 60001966.99 107366337.8 134925221.3 340948630.1 286047473.4 431110277.9 13-OxoODE 39449073.59 20944448.1 40785802.71 39449073.59 82545538.14 28745526.69 21118455.85 18189028.11 18501627.73 32997587.24 25854372.13 36332958.46 12506136.7 13597942.36 18529261.05 83003525.4 51306897.19 34282941.31 8906611.957 11607071.06 12468116.49 25978359.44 24099724.52 36446935.6 TRIPROPIONIN 33971788.79 13858528.27 16013760.67 33971788.79 15771784.76 331441.2439 11228700.53 16645442.24 11575482.18 16149677.33 43986529.39 26603033.93 8576801.108 17890997.48 14711079.08 12914131.43 29480839.93 26401399.5 12140208.74 446207.7384 12199117.5 19536258.35 1886119.974 14030222.71 Sulfotyrosine 17454421.4 5971520.279 8705231.616 17454421.4 15969320.21 13352340.39 7588642.933 7170624.879 6274158.184 14681737.76 22792073.46 12185519.94 6574567.496 6139801.913 10308610.61 15567676.39 11991789.89 14039735.56 7167856.779 9227558.202 8425163.677 17365627.45 14894142.42 17038572.16 Vanillactic acid 13588000.42 6949038.974 12241000.68 13588000.42 6716266.451 8876748.437 12804553.17 7066688.048 8929125.827 10163736.62 20185286.52 10636266.43 8170844.693 7682998.917 8430151.99 9805353.214 12019780.48 7383391.381 7858393.724 7986074.142 11537788.6 11559729.63 12502256.59 12065112.84 (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate 3780997.552 8664196.263 8879127.061 3780997.552 1460290.577 1283676.565 5368908.156 13277897.06 8863891.811 1810685.963 1838907.522 2999427.479 6044766.101 8644788.703 8324157.447 2589701.856 2183581.65 1419491.648 6411251.542 8984470.414 7952298.028 3714848.214 1804760.033 1702330 4-Methylbenzoate 7443368.16 22054232.6 16867275.3 7443368.16 6963607.21 5321440.721 15333541.25 23233442.34 11934586.01 6412913.655 10702842.94 4041112.238 20621593.69 14062263.19 29381494.58 7742394.947 5606583.921 5724377.839 14428755.19 12520143.54 16141621.83 12610626.36 7580431.575 7321530.851 Stellatoside B 9284089.008 35277693.82 48478841.75 9284089.008 7928623.226 19567943.25 39321983.41 29207897.84 38552253.7 11954986.3 11007555.05 5929307.582 32610507.71 34146000 51735784.3 25472914.57 4749608.608 8396080.377 40101166.89 13284945.27 38504727.05 22817317.81 11263940.85 6906633.285 Prenylagaramide B 31971587.4 264959.4296 4253516.766 31971587.4 49549512.59 55064699.96 6048128.266 1105780.226 2921278.372 45624282.69 36468460.72 39062990 1148794.597 2015915.912 804858.4695 50970278.53 22532694.86 34670445.85 2074698.95 142228.5626 436663.4688 46400287 31144868.46 33427082.16 Rubianoside I 21375439.42 273956050.1 182873012.7 21375439.42 16159639.68 25673145.95 315122945.9 365578540 329008527.1 26192787.23 7163226.457 6603982.737 217126838.3 358025223.1 284366723.5 16267613.93 9711789.204 12156370.55 452480172.9 532275816 341503009.3 15817202.28 9561131.481 8588981.319 Amurensin 12861021.99 6152859.712 5085793.857 12861021.99 11451215.04 14002812.84 4573066.076 2733102.336 4232427.18 15299892.75 13116452.11 6932802.327 3242495.478 3207868.037 2802993.63 12442381.02 9891126.582 6281800.62 1458359.128 1410600.78 1580942.489 12868396.29 9357144.747 12487818.27 Kukoamine A 1402948.363 4166407.307 1251198.97 1402948.363 3432672.208 5972073.071 5312085.39 2387132.71 2761448.685 4784096.374 2356128.118 6276272.09 4227712.243 2162349.742 2430708.779 8330353.77 2157898.162 6377036.368 4256935.967 3026133.906 3380389.433 6530916.412 4825376.863 10653620.92 Isorhamnetin 3-(6''-acetylgalactoside) 15044451.64 5432314.007 6750630.938 15044451.64 2835390.713 1920533.576 3341232.191 4227611.99 7475018.758 4303884.206 4478491.721 3291408.742 876930.3 5644796.822 16896010.04 2500375.724 7122079.458 3912046.038 2395745.4 9709938.124 4865930.726 5224006.305 2798186.723 4887687.149 Foliasalacioside H 1773651.938 8502662.346 7976777.12 1773651.938 2756590.105 4139345.052 7786576.252 9859795.726 8079998.527 3947109.136 2148512.985 2036779.184 18206926.61 9888806.509 7018913.05 2201915.306 1852625.091 3008501.538 12601299.01 8085098.256 11557577.15 2032824.31 2437103.581 2164776.423 Rhamnocitrin 3-(6''-acetylglucoside) 99289842.54 112216443.2 206489140.9 99289842.54 71852392.62 26769653.63 297971739.3 210715796 128071636.2 69201529.87 58840492.65 49485987.14 131118001.2 322606295.3 198431294.6 47679709.44 56944296.95 34799522.71 108087305.6 111951810.8 217229504.4 78523770.02 79000992.69 99069416.12 Tricalysioside T 9736256.65 2409131.106 4662805.669 9736256.65 5960367.546 3862225.446 5450853.44 5096244.253 6889105.441 6340360.94 7591240.669 8560548.112 3568080.35 5300732.831 5589555.112 4738095.804 7847640.733 5988700.693 7586551.889 7334582.89 5996510.095 6865538.999 5639805.919 6439229.759 Okanin 4'-(6''-acetylglucoside) 520566465.1 174396474.5 189817955 520566465.1 163503404.7 130881154.8 96998543.86 89946892.27 157643559 171048254 177951385.6 162240058.8 76696057.02 105359319.1 187438872.6 110452711.9 125252673.3 129587718.5 64103566.5 101066776 130178666.8 126030324 103142754.2 127514809.4 6''-O-Acetylastragalin 7655545.156 647066442.6 520027480.1 7655545.156 19970209.92 5086484.87 570538320.5 316616302.1 419365345.4 31339490.02 8768879.576 10405181.73 156203917.8 169717632.6 497992409.4 15454929.55 24730515.07 12072272.63 175853667.8 222167763.4 436780847.3 17565080.22 13459661.23 25893688.71 Padmatin 5-glucoside 34550588.6 61096625.36 39017608.24 34550588.6 27189613.7 31318776 20672076.29 23152548.27 34418281.12 19263731.96 19378139.06 26717415.37 37940058.24 16996702.68 39096583.57 22972536.1 14440313.55 21105992.61 10787023.71 10669400.78 10059671.37 19752018.31 16934862.17 17546876.12 Naringenin 7-O-beta-D-glucoside 6''-acetate 146912107.9 28848927.57 37541653.67 146912107.9 67872548.29 60612030.63 44438613.57 23155149.13 81536575.83 102359857.7 50497425.92 60166949.97 20848818.36 28685704.87 55625625.18 80414575.83 82498522.89 38937767.4 23283689.75 40891151.45 32808835.14 54524107.49 69020879.94 58114082.02 Eurystatin D 96092631.58 86895763.4 67091726.28 96092631.58 133223586.1 111856709.8 69741840.77 71582831.03 53543852.41 114085881.4 101689272.1 91242307.63 117562574.6 49758800.35 66993840.62 125256937.2 121712793.5 109657797.8 51639154.58 48175066.66 58637881.2 113443940.1 93916256.41 83481369.98 Ebracteatoside D 6383059.14 43748440.93 37696278.69 6383059.14 7349099.503 5738562.298 32676571.28 35815173.94 49717003.88 9465856.012 12668297 5663122.877 27079001.55 42746235.17 42222299.22 11603270.17 5471077.296 10003275.82 35023196.79 38359100.53 34329363.22 8150827.283 8667832.909 5131222.332 (3R)-1-Octen-3-yl-beta-primeveroside 44708684.01 164086423.4 129536984.6 44708684.01 129483320.9 48896375.17 183121130.7 165657953.2 144988981.8 149966153.9 99830126.9 105359866 209412842.1 143766172.6 222801235.9 79226329.77 54998170.68 65994671.29 116077094.6 112103585.6 201708652 75986939.98 29440247.31 49602341 Dendronobiloside B 21917558.85 16582172.23 30031757.33 21917558.85 15525913.52 15653233.22 13736782.1 34275349.23 9797716.99 12429967.06 18488540.45 23744537.41 16804059.75 26929755.79 19555053.33 30275465.33 15636288.18 28214172.17 10998345.59 17972093.48 14664798.56 14372940.7 11445877.37 10593138.49 (-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside 18142152.89 35778090.94 27507791.67 18142152.89 14255334.43 18338393.18 32417964.15 29580901.57 43992737.64 14282212.95 23668042.04 11744650.16 29233654.4 29417983.16 37493982.97 15983478.14 18666236.74 14632344.65 25863152.84 25268709.28 31477197.12 11618322.4 23305842.25 15037212.56 Compound II(R/S) 51459367.78 9242952.533 11627229.36 51459367.78 21048113.86 13364472.52 9808572.046 16583685.16 6313254.737 22103512.35 18440519.86 36405337.88 5244489.435 11608148.86 12183262.58 30159116.9 39697563.19 29312089 8861442.579 11349858.31 6993039.996 17392819.79 23007432.31 26105893.91 Rosiridoside C 132764577.3 20467739.11 23657087.9 132764577.3 103561580.7 100696600.3 17976808.16 25089819.02 14859441.29 92384989.57 173679395.4 103750071.6 23811409.43 21256847.21 24690926.24 123831999 109989457.2 104289062.1 16033142.02 14860712.42 14444471.11 79671526.18 108105819.2 101053924.3 1-O-Feruloyl-beta-D-glucopyranose 32238736.09 1056172548 1001309263 32238736.09 14806485.34 11471389.85 617128004.2 1817591805 1139083648 24483333.96 24429859.34 20310106.68 539105823.1 1126167415 1356667434 17646663.13 17795218.6 13672939.9 620037062.9 628176712 706995814.7 75106775.46 24122998.98 21013975.58 Platyphylline N-oxide 14634981.98 9782959.798 20293540.21 14634981.98 4376195.208 15017146.87 6239511.862 22525126.8 3605191.514 4809757.124 20373399.82 12125287.71 9073595.431 8288113.115 13454512.11 4627757.093 9236289.715 3748948.62 4572157.321 5716300.783 1427999.214 5238139.908 7570076.506 14439958.63 6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside 147515.7653 9151949.498 4622194.366 147515.7653 210764.677 1180475.232 7857403.266 12341893.1 7289409.225 993313.9199 4849492.784 946411.1498 16316631.73 14788776.73 7753385.836 484232.9898 1345448.352 278139.0448 5439298.253 6360196.584 7924335.315 887227.0252 2214962.483 4218029.722 Gallicynoic acid F 849460399.5 158812520.6 252334640.8 849460399.5 1135531022 1314832874 238810437.7 283777714.7 196200486.5 971847512.2 614776183.8 823619183.1 161816653.5 246890315.8 203969485.3 948899572 1535651926 839803923.4 81648262.77 113604811.8 113050231.4 523062825.2 801340005.7 838399526.2 Corchorifatty acid F 2497093637 1781444269 1682055814 2497093637 2754707324 3416026479 2512991042 1894006054 1897841159 3316612543 2427125727 2105488882 1764625631 1311965969 1659004389 2781423101 2157451577 2595859913 894496392.8 681191439.2 1081763264 1742043869 1641015542 1716021348 Casuarinondiol 11713926.87 86001968.77 62275304.6 11713926.87 31127339.82 15963568 85043500.88 31985441.03 40881255.79 15919264.69 18803116.53 6120980.653 11107045.26 23887497.71 44116838.29 30321304.78 20611211.65 17633809.03 11848294.28 21001244.2 20306049.7 53907105.45 16518823.05 20765470.84 Albocycline M-6 1776510519 230628495.1 519187512.5 1776510519 1331217706 1692206709 267080666.6 460965477.2 182342707.2 1353109426 1432443008 1215913365 285102558.4 282535887.1 289252730.7 1278567382 1241334977 1282375837 157061238.6 145399588.4 132999048.6 925698846.3 1216384958 1020903235 9,10-Dihydroxystearate 16695420.44 12808305.39 19686514.3 16695420.44 26513500.33 30801545.24 29614906.39 18914139.71 17770648.75 28285890.01 12120400.95 18316487.91 6635840.199 6369320.014 11197692.99 26149915.24 13026700.46 26862087.96 7789062.365 7965791.707 10398905.96 12767859.19 22848823.66 17462678.18 4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid 28285974.75 767167207.6 826557914.3 28285974.75 17910422.68 11652708.75 552691296.4 1072997950 243490188 33333150.42 39290686.73 13820813.74 508668761.2 697185933.1 894207959.8 19880062.72 28411436.53 17139100.65 376603647.2 1067917802 607062714 23851267.65 19574330.23 26130623.58 12-sulfooxy-9,10-dihydrojasmonic acid 45932917.19 27550280.6 22150896.92 45932917.19 16793362.27 550428.278 7155462.972 22840903.96 12211741.47 13924237 82301236.22 21618703.51 7036826.203 37886604.09 28935867.56 17890556.56 28296898.25 20588661.95 52517819.45 32116776.34 25754316.35 26767437.33 12299039.4 15696442.99 Soraphen O 686506634.8 159054123.3 192627500 686506634.8 857642484 887695958.4 258598305.6 121455567.8 147750509.9 732077521.4 429231097.4 921320787.3 194123861.6 166974148.4 194684924.6 910645784.1 989010441.8 907868079.8 191568019.7 46317209.88 95799738.7 535737608.7 530164884.2 717765312 3',4'-Dihydroxy-5,7-dimethoxyflavan 16889767.84 7761632.93 28188852.72 16889767.84 5814104.067 3084321.71 10240485.5 15677165.3 16340575.9 6766792.643 12489167.42 23978225.38 6093917.68 10949022.54 44371902.37 6522766.854 37974014.08 33814361.72 7482084.851 25722006.52 23241813.29 9698807.79 8696538.597 9202381.008 3-O-(alpha-L-rhamnopyranosyl)-D-ribitol 1362556.12 14102292.68 14284613.26 1362556.12 1095647.608 1123368.326 13426830.97 14221411.24 16727728.02 1145436.089 1142417.086 785345.9917 19327785.92 22535549.38 14171167.13 1871134.347 1488915.705 642160.3916 20832515.59 25761545.2 23537528.07 809067.5353 1985311.748 1103406.187 RETUSIN 7-METHYL ETHER 7934833.416 7056629.512 7096686.422 7934833.416 3180456.476 3074387.35 4796002.758 9491279.447 14586565.35 3782925.197 8324426.167 11789029.24 1608594.861 3967120.91 15484655.12 8106519.739 16710736.45 5695390.462 1590059.224 9491908.519 4157727.086 4180816.945 7651185.997 2512997.214 (plusmn)12(13)-EpOME 1292188411 776548876 903879872.6 1292188411 1345137613 1319813718 1345082827 1455185544 925860771.9 1936848976 1032875543 1616939846 956930729.8 735376661.9 1015094972 1646870896 1521952532 1677606247 686325069.5 1016802132 921623611.2 1098783912 1410894136 1640330035 13(S)-HOTrE 190316684.4 815393558.2 638335775.6 190316684.4 233973531.9 188293828.3 1171072720 1798775729 1048003091 264124136.9 108634651.7 243734338 1127086170 629710782.8 1175390737 275782354.4 297652463.4 268038572.6 645490335.4 811714161.6 967128458.4 156645036.2 174597264.8 215659807.7 Carolenalol 16385856.55 6681984.686 6157988.607 16385856.55 16258603.88 12111794.41 8960356.276 6489467.283 12564796.36 22971741.75 23922813.89 21151694.09 8484297.416 10549409.38 8943496.775 28872947.17 26715252.24 26574760.23 5524727.392 7929089.759 8584230.708 22700667.9 17979622.48 30339371.74 Prelunularic acid 59678266.16 5631133.052 9754216.238 59678266.16 17818849.51 13595482.91 5488185.538 6331269.59 14474023.89 18533270.11 31805672.79 32554615.96 4123015.784 6791526.74 6287340.144 13146450.58 30769969.09 18635578.05 3388081.699 5481146.791 7188801.638 18997348.77 19505780.67 22767034.77 5-epi-Valiolol 7-phosphate 24348607.54 7537310.137 9888206.474 24348607.54 17531673.55 17920338.22 16543778.49 5668693.114 12277448.41 16853632.16 14256718.8 19502660.77 5933458.314 10121627.24 14780813.24 19662562.68 22444531.82 22905181.7 6755109.612 12777374.17 14565908.13 29714733.69 25385071.55 21134852.22 2-O-(alpha-D-Mannosyl)-D-glycerate 155926148.3 27517278.68 27695908.09 155926148.3 144361224.5 152712270.2 46524197.63 22500295.78 39714397.1 171233893.8 241348576.9 184058893 21803887.28 30996312.89 39368001.47 198480212.4 160658795.1 154855132.6 19311377.96 23627879.17 48916393.91 189468538.2 163991635.1 174867299.3 2,2-Bis(4-hydroxyphenyl)-propanoic acid 15038424.88 202873.9356 1419418.058 15038424.88 5861745.399 5875683.784 2250271.414 1058310.312 2434338.595 3733112.101 10209818.17 9489229.992 412257.3158 1127085.682 4932933.898 4020828.058 8789716.564 9096971.721 1184206.378 2959751.4 2129590.043 4814292.675 5352926.906 5144743.712 Phaeofuran B 192987327.7 8715024.585 15949530.66 192987327.7 99205745.26 141407345.8 10132870.41 14779899.66 6484336.299 120823282 86637196.09 97839216.63 10343306.48 11026153.83 10369199.82 137029735.7 83505329.38 67805879.54 3321430.764 5489064.682 4093492.027 68793559.51 51696456.41 83223922.14 Chloriolide 364712564.1 11073518.73 13805648.28 364712564.1 439945885.3 475256636.7 7701347.097 19152139.03 7017779.995 286774772.5 95259705.71 528894758.6 11507568.75 8684167.222 15581348.42 516564882.7 446938437.7 480507754.2 2259893.221 2962934.507 5055043.866 290180562 218003017.5 288853009.5 Jhanilactone 678035655.9 10496967.65 17512311.33 678035655.9 580233619.3 673772741 17000917.54 22249335.08 7286094.456 420986068.3 278330618.1 475141170.8 12050625.94 11720439.7 13603370.39 321605186.8 455905488.1 636738103.6 2081080.373 6863071.438 7252270.137 304533762 158095870.5 304025373.7 7-Oxo-11-dodecenoic acid 19493152.92 3892737.4 2604808.326 19493152.92 20698401.05 20825496.51 5232706.826 3704945.395 2897448.164 20107834.15 11290863.14 20932070.55 3863402.25 1864919.316 4673656.986 18208917.08 20030938.12 20679924.35 1518603.457 946724.7024 1266543.113 14913806.43 15337587.77 17321275.28 (R)-(+)-Patulolide B 165245385.3 10401327.17 15136172.84 165245385.3 127156766.8 120058115.3 19850395.81 14529863.44 8170004.746 91350676.26 55985749.86 151533266.8 11150723.58 14700380.73 13995176.5 133175396.1 185462998.5 135989561.1 4247817.22 5848819.297 6361360.059 88703393.44 85711380.57 103400242.9 3-HYDROXYSUBERIC ACID 2610271859 207297660.9 577733982.6 2610271859 4681600716 2906179500 1141171310 105613841.6 166254731 4937723415 3794323735 3082026767 77047942.49 121480547.3 129253137.7 4533839027 4811848981 5053575045 107600962.6 98777112.16 582041328.8 3187261025 3343606885 2900298977 (-)-Blastmycinolactol 9896742.769 18136915.42 10015672.8 9896742.769 8789575.571 9060440.057 21810589.44 22261622.25 16057865.53 8191355.136 4778657.465 8546208.187 15958916.39 10362853.51 20567136.24 10143141.97 9193251.569 27919831.2 10612096.6 21181563.14 17228881.19 8252439.485 6011836.152 8849891.431 Tanegoside 5767023.331 24869044.77 22426452.43 5767023.331 4795257.808 3363000.904 15295674.8 19671638.04 9682880.617 8963955.332 4386223.308 4164571.187 21268929.99 19743766.36 13724824.13 5635502.219 9065012.993 5725180.976 14631934.98 10630232.17 16195143.24 6546407.69 7231616.223 7612018.957 Glycerophospho-N-Oleoyl Ethanolamine 10634347.02 7148928.057 12733664.86 10634347.02 6495945.914 11575071.44 6921467.771 4719031.618 4732398.345 5609519 11496446.65 6709045.675 4850439.454 4896458.881 12790969.86 20267125.52 4032340.03 11981771.19 15222549.41 19341136.32 4120555.616 13500084.65 5366273.709 8653496.011 Forsythoside E 33420527.88 33253216.57 23298268.83 33420527.88 24166742.7 15847873.78 24529068.38 24037166.44 24687911.22 16344689.83 27998234.98 12464434.96 14980204.95 25829813.96 25138407.3 29669699.16 34146678.44 42464550.42 14706893.26 18419609.9 16328832.81 23905185.4 24655268.2 14219395.22 Apiosylepirhododendrin 129990680.6 5082473.279 4916935.53 129990680.6 39278430.81 33814783.95 6610629.364 6860206.479 5758142.764 42479916.94 125203960.8 47115033.26 5317767.253 6199881.124 4500996.984 70548757.8 97031864.06 69934764.86 5628582.959 10064909.4 9266513.024 51688155.12 76668034.03 56691974.74 Zizybeoside I 8653883.659 11118133.54 8103109.396 8653883.659 7721703.067 7266685.701 2234668.184 8860070.34 14863480.9 8492745.928 12998509.36 7789602.772 9844958.17 12874637.53 11889395.22 12125652.03 11048985.08 10122606.96 7671269.819 5822971.376 9617942.126 11464884.43 8334763.482 13495789.87 3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide 1298901.778 19553700.1 10198500.06 1298901.778 1042585.137 1671853.114 16292863.1 18957788.11 34785524.01 2281268.192 2423504.321 761144.2656 22491958.26 23360960.39 16685485.29 3066279.099 1637434.847 1511363.276 17370519.88 19445521.28 18679684.43 7422033.474 16354210.42 2330950.416 1-palmitoyl-sn-glycerol 3-phosphate 212961499.5 152358718 184631319.2 212961499.5 412678073.8 413818928.3 225301405.1 139257186.7 163543606 369921875.6 256171079.9 396872938.6 139015836.2 189999586.5 171654813.8 599455902.4 243604915.7 499258765.6 116914161.6 205527982.2 99787024.21 494273708.4 429474649.2 520297721.2 Breyniaionoside B 3421243.864 2558082.123 1614214.084 3421243.864 3890473.333 2912859.519 4151129.944 4675292.207 3839699.999 4789177.396 2859870.343 2105176.867 5220429.638 4219381.481 1219775.834 5145982.346 3468035.201 5537920.749 5549709.676 2247842.42 2914658.12 2793374.579 7823201.421 5955717.677 Linderofruticoside A 22449535.33 55727707.59 65211678.36 22449535.33 7600954.067 2925039.669 50447331.95 87653652.23 61917516.18 8023237.788 16943168.53 10015025.23 29750109.92 49129397.58 83723988.69 10668439.3 14155998.55 6401498.435 42229702.23 54294675.86 60046743.12 23325948.88 18135109.4 12401251.57 3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside 15752916.87 315464357.3 323311610.7 15752916.87 21290054.21 23127655.1 249710930.7 472786526.8 427964398 21330472.33 26488579.58 13765802.46 355096202.1 337402936.5 225423899.3 23799157.93 13485851.05 20310489.55 645650388.2 609813659.1 597727216.5 62093476.34 27038957.51 20795291.6 Docosanedioate 7024372.262 154396.4684 313229.265 7024372.262 5805095.437 8048576.986 316994.7313 134282.2067 530668.7624 10181337.49 11476691.98 5606108.508 213936.3358 487524.3183 228464.8495 6615424.983 3269869.737 3420276.947 370228.4428 341012.224 69833.61506 4090277.818 11517140.72 7297674.891 Methyl gallate 3-O-beta-D-glucopyranoside 9352727.15 24930576.62 22922396.7 9352727.15 13604356.39 9439158.321 25911643.16 17763562.86 15060377.94 8756086.78 20332940.57 8876912.497 9354678.63 13095156.81 26975523.81 10772711.48 8595593.714 6476992.646 7309957.066 11057800.51 23564021.27 9020030.922 21892242.05 11642510.06 1-O-Octadec-9-enyl glycerol 2321521.388 3946354.06 3888719.935 2321521.388 2449906.378 2277317.037 2745542.019 4478441.279 3674041.821 2910750.309 4230709.09 2430309.123 2576942.257 4574390.323 3093898.221 2485986.419 2222400.194 2630256.601 3399170.038 4804261.165 2692975.529 3269768.305 5043776.581 4334962.078 (-)-Glyceollin I 10972908.4 1918725.465 1544932.929 10972908.4 21072684.67 24290167.77 915940.6452 2176925.709 220968.2289 15289063.75 19177230.56 10131256.21 2510978.923 2655386.846 238851.3343 20560656.79 13021379.42 9420600.522 159514.9019 2383206.709 2429496.014 23594403.17 18596369.67 17716616.88 Koaburaside 6120337.36 7820098.246 6614429.069 6120337.36 4315637.323 3668625.065 8825516.707 5002909.47 5996928.859 4237063.06 8012010.395 4928599.297 5996767.825 4769697.79 5658020.058 6110249.744 6526825.93 5401846.802 3393786.64 3198911.151 4688478.414 6791243.868 6013605.147 4584362.768 Paeonoside 9052717.729 21410977.22 33661508.39 9052717.729 2683440.228 5564878.984 20158174.98 26487803.5 38657934.05 8215938.982 8978667.789 5058135.254 24836597.65 35062495.03 35980558.4 6276986.579 5194663.128 4924453.12 13750119.99 39828004.87 19284286.51 3512004.805 7331329.891 5697877.628 2,3-Dinor-8-iso prostaglandin F2alpha 1062988414 112840328.7 232516410.6 1062988414 879638522.5 643833380.5 292206648.6 400400672.6 144516568.2 793223881.9 490170316.8 681759485.5 232154124.7 124244326.9 163969707.3 561844813.9 832364963.7 574510442.9 154331513.3 110509659.5 59338190.63 477789971.2 447824310.6 449308315.4 Rengyoside B 2428350.058 148928329.5 113043328 2428350.058 2577619.326 1505749.182 71708337.8 135644302.9 86027829.85 1393019.303 2271120.27 1936317.113 119626480.9 120716678.2 102276989.5 2585738.636 1722724.975 2201334.118 91030463.42 71745578.06 100884765.1 2551260.831 3473839.195 2720426.35 Abealpha1-3Manalpha 45049587.58 212238447.1 265769309.7 45049587.58 13634065.12 26253914.59 339432126.5 398716125.2 431131264.6 36223838.68 34022030.68 48543464.05 400478925.3 523455921 350710648.2 32760012.98 39259697.68 39166224.92 443198960.9 445038963.1 326291027 40723794.43 66181251.36 36485309.2 Isotachioside 6318456.325 4808015.808 4161246.999 6318456.325 1868640.102 1305125.956 4560386.448 3120313.519 3143500.597 2076861.54 4276623.049 1932203.364 3334233.802 2888253.01 3840931.78 2896011.358 2808457.668 3022738.536 1728099.114 3028303.289 5106187.072 2766903.97 4027484.135 2757944.672 Pseudolaroside A 46390051.69 1041809136 1281532462 46390051.69 56621131.14 31032066.69 721523680.9 1332235480 476102597.4 83096841.43 65828472.67 21321097.48 547312510.1 924471394.9 1312510994 28813420.58 43453920.43 28823373.43 368835258.8 899680639.4 505138106.7 93807234.6 31067088.87 53574843.96 Sterculic acid 571480.4278 643336.1992 408182.9562 571480.4278 1108382.173 2640863.148 360963.5139 25189.8701 590652.0025 2607001.434 1179874.869 1440938.693 219483.1664 414453.7659 148553.4573 2580100.216 1112647.532 576944.3287 23105.9576 395961.0643 296010.6384 261185.5357 747919.7477 705508.3078 Hymenoside M 8081594.738 73899828.55 59793258.11 8081594.738 8488861.122 8110654.427 108393128.8 80427512.73 54322533.3 18476143.97 13991699.58 11296376.86 107823765.8 52344514.83 105152329.9 18489450.82 18755393.15 12993773.22 47023579.26 50335740.55 43266041.13 14373664.39 17856588.46 13517465.16 Tuliposide A 771423.7835 10312601.04 13309851.97 771423.7835 321734.8239 265598.0931 8509280.132 11409017.83 18705688.72 296006.021 212709.1314 843047.1097 20281847.63 18393062.94 12899037.14 1644822.459 157573.0819 121364.8434 13743733.42 9094181.161 13822375.52 1303356.782 2169510.745 203233.3613 (+)-Neothramycin B 166390748.8 153921443.6 194664535.1 166390748.8 102636470.1 156263906.4 83138409.95 279995354.7 247995041.9 105742166.3 192455569.5 125741474.4 146224658.9 208410499.7 154970153.7 180129409.9 95066750.46 116311441.5 85451678.45 90601277.5 103714894.8 193194859.6 117212549.3 83203354.16 N-Lauroylglycine 250987.4783 527983.4446 327811.5294 250987.4783 208251.749 1583234.178 461735.3915 384437.6402 397509.1645 223016.6942 276767.8114 1142533.084 206124.9452 835787.9782 1688871.817 572058.8333 167384.4712 456094.6566 649700.8227 352595.3259 661914.1019 574016.7638 955770.7932 263962.7987 N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate 5080664.084 76012421.52 199252710.7 5080664.084 4219211.104 4629506.595 67788532.96 55625280.29 121191932.7 14524207.75 3391743.321 4646349.859 43265837.23 188019710.1 117488783.9 985535.666 3228927.302 2124383.701 66671879.42 208890778.2 119661860.4 8343913.915 3347143.317 2407554.765 Pandangolide 1 275875748.7 36743392.75 30160099.99 275875748.7 239754825.5 408225601.2 27689204.97 53754842.8 20390451.1 282052167.5 140817693.6 255320571.2 22440210.72 43903894.67 35214557.56 300760860.1 196248338.8 151197384.2 21637958.86 19122717.66 25519693.2 103707090.9 158317138.1 155369282.3 Putaminoxin D 2808927.776 7942170.075 4963125.9 2808927.776 2428345.415 2092389.753 6594026.959 9615923.776 8533488.894 2310798.789 1688857.396 2179791.921 9725962.138 5609294.273 5494196.915 2852381.121 3406043.117 3808002.864 3260332.598 2607598.558 3593327.749 1808380.954 2005206.607 1769366.907 Drummondol 120094141.8 3148446.211 8791202.986 120094141.8 95553229.27 138600485.6 5686224.987 8030006.618 2602680.362 110673686.7 145468192.1 64718505.03 3369754.356 4599918.61 5242263.777 66843460.71 55217577.74 51633760.81 792413.5891 1865939.502 2407167.475 38935923.37 43271727.41 59304845.48 Botryolide D 7270756.372 66760633.29 69824256.64 7270756.372 9961916.037 11429042.39 41623628.1 57060619.04 49062899.04 12572147.62 7850856.54 7337109.547 71677659.91 56418115.66 43740822.48 10188890.13 13076583.1 6271127.064 71706282.5 62853542.97 53709419.22 6045889.253 8897181.329 8497054.085 L-Cladinose 1854504.681 5181002.62 2706445.931 1854504.681 3179571.525 2913945.927 3283461.291 2120912.569 3316491.389 3663665.413 2197282.265 2307140.622 4181904.981 4442380.637 4161142.134 2279453.282 4452931.225 3378709.76 4061441.955 2053009.95 2299630.956 6658305.655 4034413.978 1901237.729 3-exo-hydroxy-1,8-cineole 8898680.502 187189.9573 162792.357 8898680.502 8041886.141 6659155.639 1218092.012 525535.274 1074685.804 6866035.649 5479237.783 5141820.36 1206669.489 449509.4422 200946.1714 7859295.185 9534228.777 8424131.684 925776.8365 1030458.795 1481643.551 4336408.768 4620839.76 4478136.559 beta-Cymaropyranose 24852742.09 113948343.1 56326343.98 24852742.09 20660351.42 18693971.73 50505088.1 92177065.26 85827232.84 23178741.29 29372682.87 26569883.51 77761142.56 87836308.44 88372823.73 20206743.45 19983055.61 18998674.77 45423060.23 46503926.2 44796054.51 33480285.49 19478629.15 25584755.43 (2-Ethoxyethoxy)acetic acid 11806202.07 73475256.52 99607060.53 11806202.07 9893792.547 9478598.436 74934830.54 45625483.58 72213723.94 11033110.78 13473349.42 9029697.064 64880762.51 46457253.46 85021243.21 11461507.6 9425386.06 9150922.706 71860583.98 98042030.75 95704168.53 12580927.31 15889573.68 12286558.39 2-Hydroxyheptanoic acid 94800174.26 93165811.07 113968568 94800174.26 170267796.9 140331398.4 80260261.62 93919923.36 100885334.1 111012097.3 121594399.1 74115702.15 82523833.77 79799180.88 77333843.95 99574553.73 176555869.3 79503704.82 98801430.55 82533013.2 82101143.05 178474368.1 140414119.8 86621475.08 1-Deoxy-D-xylulose 7860499.966 26460884.16 38453010.3 7860499.966 6352417.941 7077392.18 40813152.6 37765866.29 33382770.78 6415825.538 7532527.137 5101359.43 22674905.54 35823786.03 37776174.04 6703731.674 7454446.251 5884183.923 42733504.27 43434389.85 42132877.76 8425651.153 9175597.215 7219531.164 1-Oxa-2-oxo-3-methylcycloheptane 83929534.53 1241614449 1231978790 83929534.53 124250614.6 34114280.33 756545662.6 1081586224 764035859.2 135767575.9 108451750.1 21340102.67 1061449593 753498586.5 1048948033 30971128.56 139697578.8 126408100.1 1092854865 970533583.8 1093327495 33278498.02 104109361.7 100755546.8 Myrothenone B 3222553.704 38310010.17 33239993.99 3222553.704 3692854.495 3303968.94 38613248.43 38094337.26 47335450.71 3780662.943 4339946.743 2716885.058 33553798.57 41505894.89 34497383.58 3927765.761 3207930.818 3750995.676 39471487.4 33055600.56 33612635.14 6394107.763 9647489.703 3748022.792 4-Oxo-1-(3-pyridyl)-1-butanone 129197.3556 10073133.42 16855814.71 129197.3556 54233.06758 1102032.947 15114648.42 8189075.893 6600582.215 1352639.959 92913.5856 898630.5158 8270879.795 7663339.384 12171731.91 41140.5368 1052121.334 1052998.418 4697249.603 12707542.64 85844660.51 86548.79678 94539.68656 192806.6883 4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol 1605729.029 432886.1736 229207.3902 1605729.029 741762.997 1438401.376 160064.8523 510053.4756 139459.4676 2013564.837 2278409.241 1573532.182 316272.2636 408360.8336 156322.4164 2173911.854 1555924.447 873152.8459 317696.4693 315308.4839 561363.41 1248370.53 2053466.966 1889069.813 2'-hydroxypyridoxol 3580351.177 20422802.53 21846508.81 3580351.177 6193783.585 7162146.114 26704383.24 18583524.36 27836044.39 3993318.44 3049087.429 3868393.48 18400826.06 21031839.6 22088575.01 5596218.004 3611539.8 4133546.475 15869994.29 19931948.86 20834036.58 7399170.145 9792100.332 6952996.237 Foetisulfide A 1007551.236 1109913.779 766673.0828 1007551.236 1249203.636 1109043.638 760741.7592 689675.1973 791408.4276 1169796.07 822553.6547 951799.8374 982215.0345 899098.4824 718273.7345 1153914.334 701029.9203 941699.2956 1466064.668 1558901.284 1809136.011 1138988.002 902335.1018 1047596.633 2-Benzylmalic acid 539553348.8 354524210.6 1076355243 539553348.8 1112222489 931619569.5 965297935.9 634229529.9 432002983.6 639903874.4 747595434 632643275.9 111670055 331087276.6 709533317.8 1041200946 950841612.5 701757472.1 130874879.1 910475893.9 522055589.6 926108811.6 522558479.2 554112019.9 Eucomic acid 4982528002 773859261.7 3404257537 4982528002 3660054803 4009746850 1734026624 1245881355 1552319552 3490290412 4625090254 4312646228 586854265.4 923895426.9 1310679832 3816620276 4442749539 3564933453 369897133.3 1035570998 1259254152 5842915053 2880789951 3424485625 H-Ser-Phe-OH 12511241.24 17719669.12 10520988.03 12511241.24 10584973.19 12117245.41 8858927.774 13853346.77 13829205.32 11585628.63 16678535.89 9619170.171 14722955.93 18281141.76 7054875.297 8589206.408 6712294.564 7772511.564 15558818.12 4885103.324 8946833.838 9574718.732 11012219.65 10224668.98 Russulanorol 23339340.21 4121249.957 2825370.985 23339340.21 17133796.8 18854792.49 3418436.624 4414621.239 1688739.281 14893863.52 14029741.08 20933733.26 1811700.671 2847225.869 4715617.398 16866578.69 11338971.11 21212855.82 226084.5155 626223.7608 1444217.168 14332093.91 11833438.95 12820349.49 4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol 35763553.96 5769203.206 7039943.171 35763553.96 32524784.98 21574278.04 13266416.93 7628025.359 3777573.793 29758999.76 14719014.39 28982765.43 2211599.069 2456939.121 5754911.914 25912418.22 26514538.78 33943851.83 1368078.933 3102634.293 5573681.739 23934455.89 21010382.29 30890616.1 PISCIDIC ACID 908168401.5 154077021.2 566099312.7 908168401.5 488360322.4 554107012.4 466457232.6 242099615.6 404618913.8 768051619.7 938522151.7 754012206.9 127497474.8 128310440.1 311235190.8 720865635 937956620.3 713765998.3 113305770.6 218855665 512800006.7 848188134.1 628574219.5 755135927.2 Pantetheine 13519974.13 12333624.51 10998760.12 13519974.13 6453378.081 4277960.757 15339811.24 13586264.25 8819533.193 5294189.956 9711563.229 2987176.356 8993657.353 11897952.81 10986647.74 4791891.578 3540156.37 18242731.14 4192809.448 4760506.677 7035490.05 7595865.269 2521387.097 3579573.47 12(S)-hydroxy-16-Heptadecynoic Acid 16043387.36 534993.3341 465173.8356 16043387.36 16787746.19 15306936.76 337732.8888 725033.409 1355033.547 13944099.91 3824707.51 23402899.9 1791308.218 309535.8436 141122.3718 17613431.05 31026865 20147883.64 1005257.19 66883.9588 79400.28078 10688615 7717596.101 19171330.12 Tyr Leu 8069789.798 7328512.355 3344063.303 8069789.798 5825838.214 5626023.26 2894581.066 2019558.353 6507678.8 6282846.713 7137758.467 3847882.552 2760412.473 2856287.455 1690128.911 4998521.48 2692334.541 3543474.498 1431973.782 1291030.865 1591073.49 3954236.01 4257651.909 3971847.278 13(S)-HODE 117757488.8 70955615.33 82744055.45 117757488.8 65864264.33 41195161.65 188699700.3 110741085 158662425.9 48783989.12 24848060.89 196988910.5 121567400.6 51849072.59 144785469.2 50161853.94 48420224.65 63477389.12 251000548.3 179078519.4 62177117.78 59822141.59 36817683.46 55116307.12 4alpha-Hydroxy-5beta-acetoxy-epi-cubenol 16462444.16 3672320.995 6612587.058 16462444.16 10712371.84 10313257.82 17284591.01 8230515.973 16714968.92 11973512.23 3219578.576 17054242.08 4239665.33 7386586.507 7736364.3 12122421.67 18715829.05 12790126.91 3835237.882 6501062.26 3376020.408 10207933.92 5540578.753 11443865.02 trans-EKODE-(E)-Ib 861080991.9 754479462.2 578223966.5 861080991.9 2205484125 1903812423 1465437534 2581722138 506550275 2186189046 1064997137 629941548.1 1750199462 409114108.7 1716647382 2430761905 649424036 2560560392 491313322.9 465006463.3 492058166.7 1672138849 483992089.2 540784571.6 Triandrin 12765539.07 34513150.1 50296716.28 12765539.07 10044591.83 10598322.03 39769416.24 38313398.44 41970380.65 9803137.225 14228079.08 9296681.115 46771946.18 73677196.98 60187089.29 13745049.04 10833976.95 6431416.066 35269982.04 49054648.57 42793079.43 10357219.71 15494578.68 12799331.76 Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside 18849744.47 370654061.3 380263186.9 18849744.47 16250997.5 23936952.06 585185553.3 1367434632 982572638 11983788.78 22604636.2 11401176.27 647907781.9 462715223.4 546728472.9 13001342.96 8886034.652 11558954.43 1230921299 861436195 1113850202 48884403.11 24404769.24 14004958.07 thromboxane B2 1565121.571 4555437.094 5707442.578 1565121.571 3520824.863 4269837.79 7787319.615 5100941.579 11881376.61 6403504.062 3853412.441 3374416.205 2138397.452 5885930.984 4150049.421 3414357.91 1061819.819 1809783.016 2616079.261 9705601.733 5105449.074 2348523.614 1792701.112 3168329.683 Multifidol glucoside 3048362.147 5946468.332 6986262.794 3048362.147 2058278.559 579694.6878 5407760.447 7417066.036 12210207.59 2669280.347 4024677.507 979809.8899 5918896.746 12611124.54 9077261.51 1200190.553 2793154.416 1565536.452 8411659.408 8325466.606 8420835.473 2072165.589 2968498.797 1762218.581 5-Deoxyeustomoside 40041768.91 23038559.22 27412877.89 40041768.91 21108885.68 13061714.11 35715875.59 18324107.24 35517937.07 21030782.99 30124476.17 16966132.39 11074822.43 27086934.67 23149649.77 23443525.65 28039149.12 19779291.89 14948838.48 25515610.44 24268770.23 31130305.73 24362423.17 15896779.44 Creoside IV 762793.8231 21014578.06 13740500.41 762793.8231 432011.6794 613020.5151 19461444.11 24108223.5 20562438.2 1203521.613 720468.9851 342705.4545 27529699.19 21795620.62 20480503.18 918441.2123 597381.4712 1634380.863 34424441.33 23302654.37 33925602.5 1857686.356 2518343.338 711896.8093 Iandonone 322863.3604 9465609.867 6767066.142 322863.3604 148094.4393 130655.0833 6389184.718 9095068.247 6466771.737 339950.0421 121501.632 374787.9276 9164937.767 9726426.303 8661436.2 347050.6691 290565.8523 169666.3523 8068858.341 7179655.799 6698623.266 342282.2077 581036.8989 467955.7685 2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside 258938.3649 12926297.02 16233582.51 258938.3649 206915.7723 784026.9172 11536804.9 17959850.11 22489948.4 2552365.943 3936567.063 588368.5037 21827437.67 19342359.46 13344423.24 2400806.666 3320196.148 2329651.701 10875622.35 14591775.69 15596213.26 1810973.757 9600641.156 1591135.826 Euodionoside E 1120101.717 74334488.31 49644254.5 1120101.717 1008474.061 1344227.104 55409085.49 49756315.5 60148550.69 1567523.183 1226716.781 1124345.121 33929183.05 78996115.34 62523834.08 1868890.757 1051211.496 898356.3443 73125164.75 47941660.33 71849581.67 654918.0655 1648141.346 1884704.189 Lys-Asp-Tyr 5029252.916 53053057.82 46114236.99 5029252.916 2189834.611 2438107.46 25658065.98 39637995.75 46689576.1 3787732.488 6263219.043 2655714.133 25418138.9 46546784.81 49681840.88 4238639.897 3669477.342 4643355.243 55013059.1 54464236.54 43812427.47 5323181.995 6267909.987 4253911.26 Rhyncoside A 34935957.57 14054906.85 6855007.45 34935957.57 29391531.83 6757824.751 13691038.02 10522227.45 7864199.141 24062218.78 70445049.28 16175038.15 3555279.26 5012570.048 9500706.541 29855074.26 19468066.67 29202251.15 2331490.02 2024879.692 5267183.298 47634486.79 39194203.42 28913661.26 Topsentisterol B1 6991339.064 2126200.743 2157357.818 6991339.064 9472004.941 10660773.21 140711.2822 66017.96234 1180727.014 9752572.445 9878060.107 7557561.296 70593.38215 1093148.89 955632.9107 8894755.305 8335564.302 8730317.932 115809.6873 997281.3064 1039488.921 11953414.8 15157028.82 11601445.63 Dendronpholide L 384669.3447 16319628.88 27415807.84 384669.3447 511797.5528 97864.71214 16151462.58 48344129.76 12578180.76 662162.6856 337414.5537 803241.4043 18907258.69 7676482.329 14347953.8 775991.3951 853881.2952 275267.3288 14641677.23 9811264.265 14079089.39 445598.2695 495457.2874 419262.783 Homaxisterol B2 3965359.607 38936.2945 3998495.746 3965359.607 28743383.61 27702066.49 21889550.17 270696.8248 111468.2688 19363320.09 27340994.22 47673358.45 19085363.52 71034.02878 44071.05087 6519333.714 27765692.66 21578851.56 22597220 71296.53791 103548.3159 15420886.9 44786158.09 43469280.78 LysoPE(0:0/18:2(9Z,12Z)) 2852262.169 4715783.11 1484524.556 2852262.169 2841100.889 4108999.682 15901816.19 2636773.593 7365208.17 5463050.168 2184447.681 4480544.287 6123361.554 3222238.281 12284074.25 11067352 2672735.618 5879699.241 11851526.61 7334668.563 13162365.93 6898277.618 10003230.73 8543540.848 Multifidoside C 8264097.348 1668592.221 3323555.665 8264097.348 9149903.665 6013680.596 3224490.299 5443384.23 3570118.809 9050081.72 9489078.367 13948740.67 4074166.521 4535049.961 2851156.434 4272199.109 9868674.651 9670007.638 4138352.463 1360538.38 2852678.346 8872307.865 8677469.385 12584400.54 Strychnohexamine 61536719.04 29774945.26 55503534.43 61536719.04 65500902.98 72887161.43 58483888.88 71505494.57 40947873.58 73767165.79 106321673.3 65092774.15 48526438.14 46152461.93 91872603.58 99994862.95 68469670.4 75676055.45 92679832.75 55771777.34 65374627.37 70806425.44 83510108.95 98102254.16 24-epi-Brassinolide 806811.1498 1420246.999 1795769.06 806811.1498 321932.8097 253561.8317 2172944.499 925088.547 49195.29402 2109444.905 1402993.753 986826.8115 1707955.721 1905992.244 2291037.301 2591811.295 1208665.553 780055.2539 1340805.475 2538739.648 2426164.069 1278426.447 5183139.528 4749365.25 Bungeiside D 23712715.13 6147463.153 6232907.193 23712715.13 39666390.65 26086904.15 7307594.677 7652054.199 7294557.974 34596431.33 52729329.57 28087201.35 6397983.476 6439197.001 5685719.159 41015408.52 31432442.04 32181509.83 4459243.408 4817823.684 6489363.725 26670931.44 26135775.57 30146061.85 Stylisterol A 41334.12164 2610109.539 3510406.279 41334.12164 4513837.57 5000620.4 5578024.56 58155.2131 2856571.363 2992545.539 6208502.725 6583139.354 4496371.513 3030174.252 3332365.599 221498.3245 5883614.793 4198989.908 5462806.006 4758427.103 3534035.007 2419943.364 8058798.174 6804203.409 Juruenolide F 1312872.049 32934.88747 411490.5108 1312872.049 1014259.704 2253357.193 335044.1478 68811.2217 301861.7779 2116878.899 1763842.952 2235262.594 158248.9468 160478.8484 160550.2933 2048157.417 2536593.906 2682057.426 290681.7423 397227.631 174931.5939 3036531.575 3338292.405 2145116.112 Dracunculifoside E 26444906.14 236378687.5 255400618.5 26444906.14 44708989.65 44365156.74 182054583.3 326243288.2 328166070.5 84663602.59 73436437.09 52660398.43 248039876.5 238869523.9 186267209.3 66684082.78 45607434.41 72221145.96 174648229.6 166276546.5 190133765.9 89928784.81 107837961.8 83475136.97 Blumenol C glucoside 2033701.677 6641797.554 4082484.615 2033701.677 1869216.415 3253389.979 6766719.806 5655069.627 9299845.328 1269041.005 880108.2012 1776837.879 5552265.142 5055115.848 4254011.573 1362007.913 956927.8411 1918968.668 3313345.822 3045325.645 2270587.435 4179202.965 2108199.62 3901871.536 GlcAbeta1-6Galbeta 7374494.643 8921511.744 9238148.507 7374494.643 5958806.981 8459096.026 12413153.29 7823440.386 13245009.91 11272623.54 8356731.27 5246081.08 11199700.39 11155602.44 12903102.24 9818700.427 9831121.574 6859335.723 12066497.03 14100055.63 12447593.62 9029439.571 9946247.482 8564635.216 6-O-galloyl-beta-D-glucose 9093375.789 37412328.2 25306487.46 9093375.789 2877799.982 2346882.473 50036412.33 29068545.63 17192363.37 5108337.536 9596577.07 3179418.205 7718046.069 16768587.33 25420716.6 4296930.355 3347610.082 1760927.471 9939619.681 21508233.23 11692105.08 15404698.39 4047270.848 5013917.486 Bussealin A 9192246.021 2309529.677 10989174.64 9192246.021 1931108.938 1757832.607 4475633.199 8173520.32 2115028.118 2316101.36 10309410.68 2516837264 2096726.93 2173323.547 8522178.688 1074091.561 6413079.634 1613577.293 2652530.459 2313331.703 5841005.452 1352557.283 9887238.973 12985945.47 10-Deoxymethynolide 1576144.481 5503318.536 7678496.117 1576144.481 701674.2178 2892189.212 5526935.198 5320858.667 8906339.403 3206278.83 3275945.457 1236567.473 1445164.343 3706620.642 3784091.886 1957459.969 949471.3267 1036727.1 2033126.962 4223980.479 2904704.454 3193644.428 3170893.887 3339527.545 Tuliposide B 2862551.831 42014271.05 34494025.79 2862551.831 10808696.25 1714169.306 64734040.03 33756582.61 53515178.72 6710480.356 9403545.385 3307879.727 8120124.02 17383319.32 36995595.61 6621938.39 14669250.03 8112237.912 12100792.56 24841432.13 17769268.67 4446701.849 4177037.567 3349776.994 Aspergillide B 21477457.49 765174.3274 1515092.985 21477457.49 15218556.29 23184313.19 1054768.729 1802516.193 1057270.612 14576109.54 28949877.38 16874431.57 1165265.102 1592965.311 1694077.884 16125269.97 16099208.98 13056706.95 1157263.285 221559.1544 188533.8384 8448366.399 14258300.24 16199869.56 (R)-2-Hydroxybutane-1,2,4-tricarboxylate 24385944.9 32325956.37 53822716.56 24385944.9 17413850.57 17394535.99 53712701.29 70750498.91 66767319.23 21329457.56 31938829.19 22800666.35 76277888.51 52504901.47 50874919.73 13636280.15 23470827.63 20475305.5 78319707.31 142393457.9 87326307.51 26739059.25 30015310.68 25815997.65 4-Hydroxyphthalate 3400055.931 347079.7544 335938.0624 3400055.931 1929879.283 1760168.579 804430.0104 285271.8614 503263.5346 2873955.766 4854391.099 2933206.82 86114.6401 380556.9779 229002.1484 3804409.143 3418954.128 1953389.725 1098726.557 789852.3332 1107958.812 4193840.806 4438381.499 3628173.211 Kinsenoside 1728617.816 5462123.97 3171519.836 1728617.816 1062520.425 1199068.077 3461346.108 4169370.392 3892928.461 1112249.949 1530419.641 1347430.931 4268843.026 3858337.083 3894170.96 1225838.661 1032604.321 1219057.255 4376086.042 5760557.842 5457542.68 1810730.368 1128563.666 1164573.889 2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid 55707438.13 1385804204 1753106243 55707438.13 45406039.86 21746262.7 1164182234 1210966440 717563918.3 63520213.6 47350829.29 32044763.68 1078329838 1833180028 1522278088 37022958.13 33632035.35 23260853.28 569297428.8 1349544448 1401864975 46673010.23 33464371.26 40801975.63 Geranyl beta-D-glucopyranoside 5221398.695 6070208.828 5580099.11 5221398.695 7643146.284 2477163.517 5558204.032 3681759.59 2703234.826 4818764.785 12282832.38 4521954.112 2018903.242 3388075.944 7209445.46 3627446.964 1626178.195 11196855.02 4570049.014 4404635.457 3715238.883 1757407.764 1329146.79 2580510.194 3-Methoxytyramine-betaxanthin 939723.5807 9308642.491 9795281.277 939723.5807 270927.8631 642021.2778 10345147.01 10902090.21 13097247.06 298832.8961 301233.1768 352927.7901 11751688.15 17384135.52 10307328.45 207387.4581 355842.9277 787704.8923 22118135.02 17267616.35 18227841.92 632495.7471 1223535.921 514442.0115 Hydroxyzine 2735484.617 187944.0054 1146970.466 2735484.617 1316141.318 3282570.83 2687664.852 1867490.677 1008707.58 2427018.797 2589706.54 4309916.657 1556922.818 1121789.381 1750004.024 4077459.406 2875157.425 3127951.667 951884.427 2019789.165 544157.4115 3549194.391 5760037.815 5995286.608 FMN 3293054.913 6566345.035 6543711.193 3293054.913 2167108.008 2329821.813 3489742.965 6128686.578 4794981.382 3482317.996 4837475.641 3269644.748 5364239.923 6700814.092 6564484.582 3772719.536 2309197.523 2348071.256 7049993.974 4499107.742 5749031.581 4025449.131 5080473.743 3604369.909 PE(18:1(9Z)/0:0) 7815545.661 5075911.483 4573181.654 7815545.661 4004081.166 3514459.956 4753763.443 8620362.639 5114455.342 4252037.857 3205896.18 4402676.405 5652705.747 3261947.494 4252388.1 6092452.741 2459349.679 3510230.563 4586857.132 13333206.14 3636456.782 3760464.884 2505023.926 4731189.31 Kahiricoside III 741019.6151 152642484.2 150186765.1 741019.6151 296095.8273 1109485.561 208995014.6 103243144.4 129828296.9 1334053.471 188322.8562 112312.7253 158197322.7 112145370.8 151388002.7 414496.1023 360402.1723 116821.4095 193420307.7 146235987.8 186991035.5 418326.6955 132073.0027 698959.5386 Ile-Leu-Val-Tyr 275285.092 1214482.414 1264167.265 275285.092 581437.8386 418399.3327 1838331.65 1622435.089 1375334.837 840877.3133 657536.969 1654197.859 723829.6417 1544904.478 1034848.216 1718425.159 483258.8668 1177522.459 1519060.983 3506936.36 968006.3219 2094618.423 519037.937 2027473.032 Myrsinionoside E 80241060.58 51909784.78 91103588.26 80241060.58 35601500.37 29734123.65 56998008.44 102742087 59279080.93 33353615.12 60881725.92 47576254.36 51220913.1 111662308.8 104060323.2 62305680.23 40100760.92 63090696.23 81051264.08 111245220.7 76625129.85 62851278.06 22613328.68 21393952.78 Jasminoside H 7608272.006 58892834.67 99633831.89 7608272.006 6543329.99 2781701.021 70982221.46 43925914.1 32458542.67 7592824.759 5056162.473 5215268.855 116595592.6 74734798.28 79061843.76 17428163.65 10942076.88 8382265.167 200525163.7 201968292 111558389.4 6659475.385 2056642.484 4384661.558 Cerin 10446615.76 12595946.85 4560925.686 10446615.76 7436123.486 11197250.57 7886089.198 8178283.224 7517907.562 5651267.428 6080196.461 7222352.627 9328214.21 5258988.175 9944233.934 6590138.46 5748014.619 7858967.039 8552295.662 14740325.29 17530910.66 3703274.619 3911027.38 9523781.248 Homaxisterol B1 9562829.697 932539.6873 4284449.344 9562829.697 17519018.01 33734963.5 1631863.417 825370.2945 230643.4919 24777711.75 18256873.25 21958710.49 3111798.587 384958.0355 34013.43993 18119383.52 25099316.62 24623908.95 3221910.636 776819.4749 275234.205 47223172.45 65817272.16 33139730.94 1,4-Bis(2-ethylhexyl) sulfosuccinate 21017902.43 2024323.754 2764828.281 21017902.43 17965206.64 23902800.58 3266351.724 2653251.959 1754709.697 22760822.18 25877483.42 16592585.68 1882580.377 3030657.711 4003638.03 24480422.67 12648716.73 8124455.672 5808998.335 4347317.199 4646748.324 11612736.24 14915014.02 17174663.91 Daumone 4 17143894.86 126832629.4 105120231.7 17143894.86 9073893.659 9008450.96 74047749.79 77481330.51 79668889.09 7232674.876 19906685.35 9796396.143 88888953.73 113281604.1 69974710.01 16644445.75 17715696.44 7126642.9 186662269.2 158593309.8 166558653.1 10711325.02 22812916.19 11333909.25 Lauroyl peroxide 4832381.816 62029.57408 26429.64126 4832381.816 4621324.987 8083025.125 1767035.357 101184.7167 1753471.53 5509580.973 8537003.567 4142670.34 2016836.108 28466.34597 972163.6388 4056095.762 2869056.101 3746901.924 1269860.699 768238.405 1267736.712 2051221.849 5791290.558 4507274.293 3'-Acetylindicine N-oxide 4104485.365 17431200.56 18219611.24 4104485.365 4761282.227 3077682.649 6071149.637 13967307.5 12225956.08 3837059.065 4052839.587 4929114.33 15870844.57 12733743.84 12020084.06 4477823.163 3809938.558 4100335.886 10573921.57 7877689.325 7971640.011 3982459.629 3849738.514 4744522.511 (3R)-3,20-dihydroxyicosanoic acid 1014271.287 1822704.554 2101755.348 1014271.287 463876.486 239215.2024 4122081.445 4345791.431 6184651.867 1319537.759 1250809.346 62939.32108 744175.5439 5389708.384 1841883.849 930225.4468 810545.9957 482639.5358 883400.9429 8796605.87 2010608.601 3912135.884 2851582.946 1386374.481 Gallicynoic acid D 670156032.7 606189273.5 463051207.4 670156032.7 505699237.4 424195379.5 510191573.7 2080329976 557972851.3 495692187.7 230554535.1 434409019.1 1406546670 552872512.8 857440569.1 539809854.9 597108619 529024332.7 452626173.1 323912012.5 442699120.9 328824512.1 271977263.9 409511557.7 L-phenylalanyl-L-histidine 990955.4114 873287.2139 395453.6307 990955.4114 1351262.838 1450890.643 911848.8673 119651.3055 970591.1447 1383525.445 1063056.126 849677.4699 344685.2651 753530.3008 327418.6471 1055564.436 731752.1004 1013695.428 493734.2063 270586.2682 719054.9021 1216112.823 1698513.798 939098.0958 N-(E-4-coumaroyl)-aspartate 6888211.599 3946297.873 8236807.151 6888211.599 3387688.148 6475589.961 2447972.252 4753190.327 5527637.85 4421868.789 8077686.068 5210280.523 1712602.31 3280186.804 7472742.516 5228130.303 4180947.722 3993299.698 2649342.542 4838186.231 5118413.21 9705315.185 7119585.333 6483477.874 Homoisocitrate 8340370.612 14273207.36 14737685.32 8340370.612 5937539.203 8276486.003 14618844.45 17120590.57 20596936.45 7431615.412 8359275.592 6926979.007 27413901.35 22736961.19 18779470.32 6996800.274 8917936.59 7216454.139 21495763.52 30114406.94 29914623.8 8404321.667 9478982.812 7602711.041 1,5-Naphthalenediamine 2158424.556 28672777.65 46146439.84 2158424.556 5682411.86 2582360.27 23563633.97 40864280.61 34422889.22 5420593.714 8701576.762 2309249.977 25646246.55 31622323.97 37598448.73 11076242.97 3885234.133 4367336.757 40754022.39 27032148.9 35051038.64 5455711.086 6579090.942 4450088.092 Methyloxaloacetate 58485585.08 30684528.37 25726453.23 58485585.08 30019449.31 26003230.01 26228732.95 40037104.04 26699360.49 20608521.47 29190135.43 25926750.22 22942375.86 41779954.33 30257706.43 24613468.82 19378546.52 20129245.34 20520932.41 21479797.17 30514059.64 22531884.7 39282814.54 23700354.68 3-Hydroxybenzoate 1196874.012 2144748.6 386751.8229 1196874.012 1248490.822 794466.4068 1435683.522 1358211.202 521762.0065 1110251.211 962648.2998 261981.6568 730785.8982 1647744.09 912042.0006 1235646.61 1247468.777 637042.6805 667168.5144 1239513.452 1034458.199 1453625.697 523594.6806 1861836.297 ETHYL PROPIONATE 22386156.11 2916481.979 7283647.591 22386156.11 19673246.07 16950601.97 6771853.201 4984984.978 4804641.627 32186657.85 25997704.66 25080059.49 4131557.07 4257163.436 4549190.282 20151768.81 16511444.48 14667402.74 7149723.719 5367894.198 5134432.099 22993683.16 15576811.8 29287506.15 Cussoside B 6333655.399 14298675.94 18969328.96 6333655.399 3295373.116 2816869.545 8702550.904 10142096.53 6945102.826 4929457.347 9009471.357 11002401.16 16113448.61 14411111.82 7373565.605 6514003.282 9341474.43 5406377.125 9099955.271 9507468.213 6607776.757 4530543.038 3526628.433 5748911.994 6-Methoxykaempferol 3-(6''-acetylglucoside) 44712665.01 93878239.46 95679619.01 44712665.01 29918409.73 16535237.2 131049284.5 67620253.62 129324623.3 26360081.1 11296852.14 15138456.51 37157832.38 39820667.96 64793639.53 26417873.73 23925734.4 18611613.85 54749938.28 46819113.39 66144734.94 17694504.51 18574270.63 25140867.02 Trp Glu Ile 4400709.724 20109729.78 23345515.69 4400709.724 7650505.149 3179291.358 17689149.49 18218493.31 31047295.11 9396904.038 21078834.14 5585231.091 11955087.2 14542050.4 19271413.28 9617348.704 25280573.18 28043347.3 14733149.1 13783795.71 20990540.72 6616864.368 8340927.867 15504635.89 Dendroside C 26793130.53 3440461.135 6361042.559 26793130.53 28655430.14 38237021.7 4402662.951 6796532.221 1917615.847 32042464.91 31359463.01 47188702.81 2929948.186 7524561.78 4740009.432 28233844.41 54770123.22 44183982.37 3869719.481 4790711.735 3069382.398 25243225.19 43459877.35 26259559.14 (9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate 7682080.591 3707503.454 3712799.288 7682080.591 10846053.66 14866353.12 5592135.671 2500896.632 3040972.973 15645442.47 10146485.83 11018623.85 1990915.553 3134392.309 4921349.34 21777147.35 7941936.413 12441157.71 2522978.064 5262300.758 2046569.074 20450321.54 14926852.6 19681012.08 Cetirizine 9210374.703 235926.672 1392339.936 9210374.703 4100605.904 3515631.964 561834.7098 1797170.212 571265.4406 5156437.689 3682835.519 7212295.904 585233.3974 767442.6222 1077766.734 10143006.6 9602301.29 9268104.889 361516.2089 576133.5013 1203157.71 3987268.24 7275563.903 6627187.283 Hygrophiloside 49647031.47 21825119.78 26636008.81 49647031.47 33060917.61 21400309.28 39081580.05 21504701.76 31839301.71 39167472.01 43386713.86 27130248.62 14162848.41 18474117.43 30874257.53 47550239.99 43299904.52 32902473.69 18558273.6 25400251.68 20985438.44 38648620.19 39862907.22 29524562.99 Creoside I 3018835.738 41248434.83 40572607.29 3018835.738 3548954.25 6122859.25 28906837.76 26070250.66 36950944.69 2635484.624 4639686.356 3088511.091 30400256.93 48766546.62 29933860.89 3177568.296 952236.1824 451353.6251 67402929.77 61590882.58 56657760.79 2827277.355 2490697.344 3071633.81 Hynapene B 80036303.79 2940128.741 6177181.838 80036303.79 78895782.48 79941393.09 5766800.298 5757433.038 2489892.077 64718642.64 27481030.28 98127612.8 1003469.946 2260144.011 5382396.277 76870339.48 135805833.5 150976037.3 229799.4005 163322.8455 2860887.625 53561672.26 51796064.42 64675830.31 2-Methoxyhexadecanoic acid 16223803.78 9094298.808 14758647.58 16223803.78 10928543.12 8419457.737 7909157.759 12379307.99 10066277.76 17109342.95 19144915.73 17113425.06 4107940.459 10975946.62 13425300.17 14981028.36 15156671.4 5817609.397 5605681.415 10863698.02 2214665.471 18958909.43 33033370.18 22450012.68 3-Epilitsenolide D1 5609604.809 7471019.981 10506556.12 5609604.809 5646008.056 4856881.984 20744692.35 20129938.03 15787545.19 6985410.324 3581568.326 8546139.834 11592407.99 14320318.6 16100846.36 6633809.633 8791822.299 6656067.142 8083559.586 19055779.34 11165907.44 3932268.752 3863038.501 6801398.822 n-Hexyl-beta-D-glucopyranoside 4603309.288 4565749.373 4165778.768 4603309.288 3014878.415 4482388.339 3575491.143 4343469.383 3436915.641 4180984.121 5965215.004 4576881.755 3024670.124 3172784.509 4690848.305 4947684.065 6291637.9 6146309.715 2095057.565 3308767.09 2801526.224 4924805.035 6717045.911 5449924.453 2-hydroxypentadecanoic acid 36490908.38 12473046.23 23653233.69 36490908.38 26725878.15 51317111.18 21345492.42 19450929.98 19793879.09 48773514.02 44252271.34 55307754 9451158.104 25596103.98 25293870.52 43284240.11 23264349.96 24358006.78 16423661.54 28656285.89 7945556.186 23116861.75 33079388.06 36472018.78 1-(S)-Methylbutyl-beta-D-glucopyranoside 4104485.365 6181063.731 5707952.409 4104485.365 4761282.227 3077682.649 5708754.815 1904264.813 4849166.404 3837059.065 4052839.587 4929114.33 6219508.854 4436252.867 3475593.203 4477823.163 3809938.558 4100335.886 4673160.304 5672719.907 4212479.053 3982459.629 3849738.514 4744522.511 2-Hydroxymyristic Acid 11986472.31 13400709.35 32917573.28 11986472.31 9619412.104 20025439.44 14901789 23553593.12 11247372.39 12877768.99 15237921.22 16893441.52 20514844.82 42304439.84 19175600.31 11377292.55 7646831.634 8555780.302 20544880.32 17663624 11912799.09 7940953.122 10455715.74 10254506.86 Polydactin A 641229.1381 3785184.866 2872953.723 641229.1381 960640.4213 908421.3619 2981440.701 5833700.327 4067138.853 373413.6222 787982.376 750608.2322 6219432.233 3386222.512 3451834.209 1308521.631 1084301.613 1957159.099 1730828.522 1771120.361 2032548.477 627180.7985 672550.8724 629017.9388 (2S,3R)-2,3-Dihydroxy-5-oxohexanedioate 17830564.23 115300633.5 76878139.4 17830564.23 18811339.75 24205301.42 40811193.36 101346972.8 87137426.98 19579548.75 15079840.78 17360023.56 102287312.8 111659343.8 67610790.22 37142633.36 21573153.79 22298550.66 82126600.15 72935598.89 46799018.22 26944607.12 30790486.26 17853040.3 (E)-4-Oxo-2-nonenoic acid 28072148.69 1301384.018 2646117.635 28072148.69 25713279.99 28824641.02 1881203.858 1854103.319 1355322.815 24412005.25 29103012.61 21307580.4 351352.5622 3588025.907 1737854.681 28395344.38 19527155.23 19634039.27 448147.2156 1457037.254 1084641.024 28809723.17 16992779.35 28981652.97 Cosmosporaside B 93091733.4 35665018.99 89395966.74 93091733.4 24956117.83 17232873.12 60438267.74 105814339.7 64144736.62 22640155.04 65820943.64 53739618.69 55446189.03 115219628.7 108617463.4 49369346.71 48747830.66 67605874.17 79711867.57 130542792.9 80549221.1 47496057.77 21297381.47 24082943.95 DODECAMETHYLPENTASILOXANE 8684479.07 26743759.64 32291021.59 8684479.07 6862642.598 6872521.051 10436728.1 51504220.18 16782267.26 8177417.454 10702892.91 7838037.37 29605111.46 25809053.9 17110872.33 9332607.562 13442667.72 6022324.471 72478061.05 29031429.32 55261019.76 6017672.006 19031534.03 8006903.683 beta-(N(pros)-L-histidino)-L-tyrosine 418867.5422 5630122.819 7235284.419 418867.5422 545509.4627 491176.9055 4865334.672 7118655.909 5940771.17 532850.902 1159421.979 648145.0548 6577967.844 7853479.628 5771922.485 893231.1257 840327.3696 638539.113 6208581.893 6232890.593 7606003.302 882068.7789 1202082.791 1084219.002 Itoside L 11376977.59 126134302.2 77052891.25 11376977.59 12657875.27 9386601.387 86823446.22 105089450.8 73749541.74 9378254.021 13516672.57 9421979.334 79079673.16 88038233.85 104002120.1 11305505.97 11226956.11 11871393.22 85864559.56 95153383.75 107178330.5 14441740.63 11998075.96 10861343.71 Oxaloglutarate 19379547.13 6141306.05 6796203.453 19379547.13 5248360.375 5451248.11 12651964.21 5483867.799 10308078.23 5543346.817 7406440.296 7245937.76 5871610.101 7148830.544 13869613.53 8879347.96 6920961.323 9953761.8 2562285.543 11541502.69 22631046.84 8371456.759 3346269.322 6699235.768 4,7-dioxooctanoic acid 16655167.14 708244154.3 702222289.6 16655167.14 18993700.23 19656669.02 434687141.2 625042731.7 451495345.1 24343307.57 18544466.56 20109609.41 615162250.1 439560824.7 592591844.3 28370741.31 28596029.17 26263664.9 613813321.8 576344531.3 669568330.4 20747116.35 59943003.22 21590690.68 D-Glutamine 399752.1147 3843096.275 3997301.388 399752.1147 1457579.571 349838.178 6833251.721 4824136.961 5305506.225 444716.8937 768240.8373 750749.1344 3192963.341 6207356.835 7804510.548 574876.5246 461784.1607 877887.8343 3812426.446 5929104.05 5024217.12 2500781.907 2124365.97 771567.8777 3-Oxohexanoic acid 37210394.26 13101503.06 20786854.49 37210394.26 48265312.25 30152268.57 19144763.24 17711232.31 20050041.65 40973081.91 50178271.06 36133886.04 16029965.25 15906306.3 14058207.71 37482049.03 28952345.37 26677847.12 13426929.28 18530930.6 14518903.98 49136909.01 30542514.43 36086698.05 13-Hydroxydocosanoic acid 20146601.6 326315.6232 1060735.927 20146601.6 14658727.27 20725335.38 668007.2626 544394.5753 1320054.655 22864171.7 25574341.56 14553962.92 265574.2007 691247.4163 546321.9725 18473432.9 8066652.053 8221804.31 531537.9197 557406.0304 330163.0617 9390004.199 21496974.15 13313739.96 12,13-Epoxy-9-hydroxy-10-octadecenoate 1938038873 705594360.4 328141151.3 1938038873 1647745318 1299806927 433625883.4 459297874.4 770968258.9 1631371526 628287834.3 1687683296 493401291 264465847.8 356751979.9 1686169255 1976415594 1633806819 159576807.2 539858272 250444611.3 1084337053 904162185.1 1582363229 2-Methylbenzoxazole 1817038.884 1982141.477 2275930.578 1817038.884 1260593.41 1391802.863 1450706.022 4931287.861 2746352.142 697455.6405 1810919.675 963092.23 2060667.633 2099904.245 1693506.289 2675716.399 1627080.27 1181708.429 1380993.005 809332.6583 1450915.36 2058281.469 1652439.431 308873.0907 (Z)-But-1-ene-1,2,4-tricarboxylate 59444765.55 39692119.23 36310450.55 59444765.55 39741222.5 43011373.11 62551134.42 42598477.63 82499985.42 55704599.57 72033089.28 81420110.06 40469546.41 45246142.44 69465746.39 70458556.35 74282347.12 57697271.32 33588689.85 58567316.75 68527942.68 76075713.83 45198033.49 60749793.79 Sutherlandioside B 1120101.717 46148540.35 32195231.07 1120101.717 1008474.061 1344227.104 30099806.46 27287012.21 41554814.17 1567523.183 1226716.781 1124345.121 39781435.22 33267713.64 28013595.75 1868890.757 1051211.496 898356.3443 28878971.34 21606242.05 26909099.26 348912.8536 1648141.346 1884704.189 Fraxamoside 7845883.04 7335102.17 7847010.36 7845883.04 4364316.082 4670753.264 4819126.164 8993766.683 10300643.46 6238068.83 11024531.93 5708625.779 4333210.41 9460439.226 8015365.613 4831271.594 8200832.585 5940003.431 3542368.429 6308036.435 4244214.271 13370596.33 4516973.14 7373533.844 4'-O-beta-D-glucopyranosylgentiopicroside 9757035.13 70781579.21 107180100.4 9757035.13 16935971.73 9305383.332 86432450.23 85723560.2 103407618.2 19531547.43 15121095.84 12872581.43 67588637.5 86541614.32 107176380.6 14061967.24 14010472.52 16079400.72 110220652.6 134083756.5 131362256.8 37032525.3 15013768.34 22258160.92 Methyl lucidenate Q 1620487.076 331340.1106 73444.99044 1620487.076 1615203.784 2165656.146 523059.3009 168603.0556 323340.3659 1586217.564 2966106.334 2386778.596 321129.9113 236039.8649 237016.3427 1820528.843 4169505.151 5257600.378 949951.1244 677297.7336 568120.1975 2499914.664 3862184.392 3012432.413 Rhodioloside E 998882.3901 24435011.38 17709699.62 998882.3901 454799.7042 1118681.981 22823145.86 18430184.19 20845234.28 829834.4799 2249609.544 912465.0332 27601129.32 23694772.78 15221819.71 435571.004 4857382.542 1801460.564 44933116.89 38067451.89 47826129.39 1313105.096 2326178.893 477755.1654 Saccharumoside C 230237963.8 17386976.01 16472924.28 230237963.8 300855985.5 277646611.4 22608640.5 30238082.52 9185609.053 338394681.5 354833608.9 203245926.9 10685759.46 10420964.32 25319187.45 418413419.7 232299476.4 246698716.6 10344670.07 15828319.99 10116045.24 263165468.7 264160881 295916851.6 Hyuganoside IV 24626061.77 20134262.23 14979127.54 24626061.77 23381147.68 11132240.62 8094926.926 16035561.4 36512907.05 12272426.96 31571546.1 15008382.46 10773667.26 22318737.77 17040310.88 14504151.64 29895607.56 31943792.32 13724237.53 12587257.49 15666812.14 41209568.19 15250275.77 17691499.1 6alpha-Angeloyloxynidorellol 1156553914 48245160.98 19090633.5 1156553914 1534628933 2326231005 112253186.1 31044918.47 22432797.47 1595497921 1705851879 1732791179 105617385.5 41897974.09 21037645.19 1684486905 2037399368 1582343539 116101638.1 41566537.11 26901803.03 3398152152 3772747518 2433239449 Glucoacetosyringone 44929812.71 6369434.851 13699908.29 44929812.71 24563736.06 30331329.11 12839200.45 7920123.192 10947525.74 31183024.1 32937977.42 15815765.82 8041466.185 15366084.69 12782407.15 16048164.08 33565935.99 35830968.28 7050358.744 11008988.42 10332373.2 20313067.99 31413895.54 20705667.18 MEDICA 16 1425006.892 215192.8178 282789.3525 1425006.892 1493080.941 1963196.82 824557.1982 202195.0858 908095.8667 3934842.615 1983543.071 1472650.001 295610.7311 626406.7586 313882.9956 1721323 1323828.581 1458910.415 359353.3491 1212616.402 466023.2495 1716888.948 3736464.754 2498869.616 21-hydroxy-heneicosanoic acid 1190315.116 627701.923 950216.9651 1190315.116 1446248.681 1034230.25 662237.3953 697089.1635 1329870.391 3201500.028 3187534.507 2106621.786 310611.8692 814117.2515 512106.6884 3136084.181 2609133.362 2164016.007 397293.2139 115916.648 182418.4916 2970415.026 5028920.49 4587593.492 Chaenorrhinoside 66904363.14 1876282963 1714077666 66904363.14 26301399.13 23069669.47 649195302.6 2183557032 2153481033 25551321.11 95190014.82 21339267.38 2198315698 3085331652 2128616498 71790384.6 27637532.56 23997618.31 2223336414 1373250469 1921850214 243520693.4 344689300 84893073.65 19-hydroxy-2,3-dinor-6-oxo-PGF1alpha 27074817.51 17062831.69 17453730.43 27074817.51 26745249.87 22044006.87 18676184.57 15852624.08 14725575.08 21282362.7 42638379.44 30069527.46 5627180.929 11620961.25 26342015.47 23701906.01 32242761.08 44531501.04 15149379.58 12116009.82 11699283.09 18196094.99 14026930.17 25666875.16 2-Hydroxydocosanoic acid 20593805.62 17601152.7 9293216.437 20593805.62 17028126.77 28235257.32 47283469.01 8804940.441 9729225.545 31392311.51 49518783.95 41223572.35 41811891.21 3794054.455 8301896.339 5245078.442 47121568.3 47135872.67 59670653.15 3080419.837 3357171.652 27310267.98 33682529.78 66017845.42 Lesquerolic acid 88620.43582 6099488.923 4246003.28 88620.43582 144923.5794 104378.8774 4660114.21 4338340.621 6771276.888 143292.0891 38344.55928 776302.2513 4139864.461 9555606.536 3125117.724 78947.25176 832579.8258 1164085.689 5857718.818 13765587.63 3240316.1 1615221.968 1083108.989 149637.898 Limazepine B1 1058826.516 81279492.54 54262422.06 1058826.516 599742.9731 1202161.851 76884339.78 101691891 154540223 1321860.866 647351.9167 949582.4718 78555901.06 78269671.26 71244465.79 981025.5464 1459280.146 1247332.346 70872587.67 76931261.01 58693720.52 4432413.872 4913673.593 860887.2681 Hexane-1,5-diol 1-O-beta-D-glucopyranoside 3549745.127 2432386.204 2131066.566 3549745.127 2481316.849 2690107.102 1510684.079 1832585.946 1617973.313 2557728.241 4326843.091 2783621.083 1747575.897 2364485.118 529090.2381 4168553.112 4067819.365 3990814.24 1677844.724 1820852.721 1413904.559 3277040.412 5194124.781 3683523.478 Chokol F 4848986.802 1918041.69 3162857.562 4848986.802 3574552.644 8715128.321 2531771.53 4292572.349 3166335.156 5820866.719 4443970.492 4083146.909 3894103.445 2008335.208 1657278.374 4432031.032 4970833.857 4983425.967 1636505.416 956526.5512 762891.6863 3069762.634 3301407.461 4206404.13 (R)-(Homo)3-citrate 17007720.55 2036412.55 3749819.791 17007720.55 6133412.615 5881467.646 2379945.48 2280608.239 4350612.395 8779405.252 26363268.91 8090301.051 2310923.473 2061869.919 1586172.552 10078462.33 9833445.714 8208226.308 2525814.537 2021149.955 2234825.458 19112337.79 6904407.534 8866400.724 2-n-Propyl-4-oxopentanoic acid 12500183.43 2439885.658 5197673.472 12500183.43 20718086.32 22558754.31 4540137.209 4609717.6 2325829.182 22892482.04 13765186.9 14239297.72 3381325.097 1532483.722 2089556.806 16840337.16 25078587.58 20697107.74 1075407.813 1632085.387 3912735.905 35639679.39 23499025.98 15187583.79 3-Deoxy-lyxo-heptulosaric acid 12896287.48 1452813.792 1024416.589 12896287.48 8876336.708 12435600.06 1857197.87 1820253.122 2851774.031 7938030.58 9750312.072 16071811.28 2074610.367 1750157.393 1992461.766 9805046.256 10944598.78 11390228 1616441.914 2601567.08 2443526.626 11818043.24 10870268.48 10972937.54 (7S)-Hydroprene 55719899.3 92036.0019 159672.9114 55719899.3 24167136.45 8920174.383 264792.644 305210.9206 56757.46313 23414054.13 3971236.806 21032201.3 2293029.821 2200390.099 201101.284 19970653.45 33143302.02 18365833.26 60970.03038 2494452.505 2500990.007 20671793.62 1556338.227 8140609.64 Ixerisoside I 941347.2766 44412273.69 64109506.24 941347.2766 2846107.587 1280282.12 43245579.23 57900649.95 92196687.14 3326366.539 2060066.535 2134588.47 94946222.7 91597087.39 56587976.01 3035989.541 1968731.107 2238384.785 63717700.63 47627923.26 63486405.42 2771648.57 18176636.06 3159070.315 Rosiridoside B 94895119.35 19225837.27 8682724.551 94895119.35 286532466.9 84676105.4 31279871.82 14537961.04 29040908.47 265500140.7 224699506.2 192796489.4 22779535.78 30378517.41 42349780.86 197102136.5 165288969.6 142511553.1 33014411.69 41856665.41 53497927.87 104519820.1 68979084.58 125389631.8 Pinelloside 40177713.84 53437555.99 32341284.1 40177713.84 32660050.27 34096365.36 38874477.08 40389560.43 44826190.18 38059815.21 57535253.08 87579288.42 74618685.92 37773591.86 36705175.32 34485913.02 43972141.6 54593418.5 57855213.78 28055039.45 41391329 43037062.58 71920323.97 70402085.31 4-deoxyphloridzin 91179987.78 9869747.421 19725167.55 91179987.78 30096082.67 27560176.5 10233946.17 13265237.22 29935871.03 28379131.91 47287683.82 50194041.55 7811645.925 14836764.94 13580099.54 22268210.07 70455970.95 35592977.74 5121061.671 9178399.073 11744154.03 32276949.87 38343082.71 31548254.69 Topsentisterol A3 6629304.26 6607119.894 5439342.964 6629304.26 8281900.798 17669617.02 4788960.907 3929652.477 4713511.671 11440224.71 10022477.6 14712594.94 5281215.441 3451176.511 3917084.973 12836779.09 11107163.95 12159955.64 4773336.041 4131314.727 5462200.083 15250282.32 27425988.35 13589222.66 Neostigmine bromide 77730329.65 787593450.3 717567151.4 77730329.65 36882873.85 16932333.66 646114317.8 574879875.6 496084878 38087983.22 42900799.71 23785501.62 827148505.1 1119490679 1138475021 38360231.18 21743418.72 16016557.26 671508505.2 1409475954 1100514536 31927945.99 26267154.47 24981694.23 (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate 13926004.51 1327342.181 12590233.22 13926004.51 17247182.46 16361154.03 12759076.41 4980912.352 3984029.281 19783590.35 53462751.46 38020563.89 1360913.559 1785373.864 3859292.919 25622923.78 39891091.29 66112240.15 2692397.587 5873896.245 7530160.499 39980422.14 26845341.74 35370157.52 Benzyl beta-D-glucopyranoside 10660688.29 18611146.46 21562813.8 10660688.29 7490735.601 10062997.09 16754383.63 18847949.95 22827062.01 8574547.138 13508824.29 6620450.227 19601585.39 38981822.06 24560652.83 12364210.48 7410136.491 5122917.68 19875745.77 26786376.22 18623081.85 8720942.241 12629722.82 8841421.351 9(S)-HpODE 234563615.1 47843031.95 38540781.71 234563615.1 257303718.1 257126339.8 112443143.2 45798448.54 62714177.98 260726457.9 69935914.35 405406311.8 21963803.2 47529551.78 50951217.34 342557604.8 709662183.4 419688452 35599813.68 75268203.94 48177257.72 203493907.4 227581484.2 479203278.8 9-Hydroxylinaloyl glucoside 35506461.98 11372225.78 16848076.87 35506461.98 10511742.8 6348125.963 21617622.98 7557108.186 14225455.29 9250195.589 9844426.933 10923998.4 6295976.532 4595209.275 21966603.66 5660291.336 12525203.05 8128070.149 5464843.916 10027168.47 14911670.2 7182269.459 7741128.529 6698717.113 Dendroside F 1187700.714 89384913.59 96355389.15 1187700.714 2506012.339 1590007.352 104748862.1 109546876.4 188925422.8 3985632.962 2385706.871 2560010.795 119343647.9 158601897.8 95216211.72 2749128.442 3886812.823 2759597.583 125807421.3 125998611.2 128171930 20340399.2 34218711.57 5318378.306 Sacranoside A 3886696.017 60676082.28 82204707.96 3886696.017 5056319.886 5633125.469 61861419.19 64654628.11 116753421.1 8903859.138 5033174.738 3658102.262 136245817.6 110450066 75919683.13 8904462.286 5388998.704 7190617.931 93651526.08 64161910.62 87128270.55 6933804.392 40110148.99 7318167.965 cis-1,2-Dihydro-3-methylcatechol 4920828.676 522938.74 1019591.897 4920828.676 4043567.477 3359501.4 1197646.852 711630.0327 653167.7707 4558000.65 5062324.902 4740564.715 823376.4552 1147493.701 267875.4606 3754781.021 4015244.974 5507310.994 578178.2181 717306.0385 885719.6985 6872653.743 3188159.05 4458620.631 Myristic Acid Alkyne 1332637.971 2258916.938 1509597.262 1332637.971 2625781.97 1246813.147 2659282.131 2043513.52 3679463.14 1560624.297 693549.032 2274730.211 1699708.024 1187893.468 2477037.52 1307928.714 1446091.97 2679105.451 1408368.867 736945.042 1247209.112 1080243.248 1511709.934 1578184.959 Flustramine H 1398405.259 14821580.64 8370144.603 1398405.259 1302218.583 1055766.221 7959523.803 11400252.53 9126815.745 1241720.565 813619.4834 588243.7177 6486542.763 6728438.385 8325876.056 1385838.61 820335.827 697444.6119 7961277.099 4664301.004 6739095.629 3769741.727 1010043.431 389029.2463 Dictamnoside L 8053630.057 13575827.86 11369624.59 8053630.057 16668632.73 19910116.01 16572393.85 17868835.91 25723100.84 17049719.32 17003194.92 17709115.08 16019794.83 19941592.43 17048685.71 5756126.118 19072674.73 18342190.36 19534802.6 14364595.12 14564113.76 12165536.03 17351118.6 15385813.26 Monomethyl phosphate 12253348.73 4831262.629 4430666.931 12253348.73 9004135.81 5319599.396 5349989.068 3641073.463 4209295.156 10170892.82 9493454.137 8287077.672 3570912.943 6547316.165 7961820.227 7970899.785 6713761.947 8381915.001 3305323.201 4460932.627 5852978.367 14901716.96 6143927.395 8658042.694 1,2,7,8-DIEPOXYOCTANE 4141122.111 129076.3248 319537.2922 4141122.111 5309785.454 6116235.956 163863.3197 514346.6947 147568.1328 4009863.397 3562214.195 2648470.198 210049.1075 366924.5979 271582.2611 4478748.266 2929199.174 2763303.299 228364.5082 384489.4499 186178.4204 5464883.249 3509701.795 3705629.69 Hydroxyacetone phosphate 4039287.688 11023740.99 3141403.096 4039287.688 6408703.819 7814689.167 9257140.38 5069126.848 5154406.66 6555377.748 3637364.498 6244936.45 5131459.564 5834338.931 6762599.299 8818698.241 4565942.352 7338106.337 5561559.08 7789329.471 3896971.739 8139409.394 9515148.286 10308622.63 (2E)-9-hydroxynon-2-enoic acid 60946104.27 9180479.508 7686149.954 60946104.27 56830433.9 57636428.06 11683999.7 10630411.39 6316535.951 54206756.41 34434903.91 53830308.65 9129340.339 9123283.076 10737838.39 59238015.18 70598465.66 62010983.03 3275422.355 5015467.423 6779231.237 44472261.84 31849032.44 48445710 4-Hydroxy-2-oxo-heptanedioate 2529991.287 787638.4202 648788.7793 2529991.287 1608811.655 729976.2519 1147171.684 630227.2467 951187.9369 1682135.529 3533026.781 1367815.171 269843.8678 693530.9879 492512.7942 2631887.379 2009559.073 2287331.72 104468.0047 115550.3795 350589.0509 2487037.523 3378091.361 3594889.19 (S)-(+)-Ibuprofen 21407955.8 1850625.444 150242.6644 21407955.8 17816014.88 21157122.36 1693800.616 301022.8274 1189126.102 11957689.47 9075790.468 13522173.17 2271144.739 148119.9754 2517962.336 9032463.339 13427725.17 17904207.4 1838825.8 2435734.996 2693379.497 9892025.68 4631984.348 9796049.716 3E,5E-tridecadienoic acid 1827768.921 1112963.879 1539044.053 1827768.921 2102253.523 1501896.934 2130038.168 1696335.206 1002993.19 2069854.424 1032100.795 2115879.454 905079.8157 710985.6849 1298147.962 2026059.15 1719451.372 2407355.898 441305.5407 600727.2858 1222064.526 2681393.215 1922309.516 1692609.509 7,8-Dimethoxy-6-hydroxycoumarin 3076863.049 6520667.065 9602316.195 3076863.049 1505823.251 3250265.922 5845356.624 8915735.262 8520156.46 1703237.945 5749244.434 2189789.337 4166042.781 6289057.344 6300689.888 3709319.574 2597333.477 2381209.666 23899703.01 20118697.36 25718991.63 6601091.895 13246342.15 5472371.541 Jioglutin C 10533746.52 9288607.961 8479408.833 10533746.52 8478610.888 10056148.39 7702222.203 8397935.962 8543284.189 9035863.53 14368294.64 8242217.024 7529153.079 11460410.08 9175792.302 12342275.01 8683879.993 7605778.139 8015427.233 9349489.804 7356882.613 12466969.72 11854946.79 11119085.46 2-keto palmitic acid 43032975.55 31731985.65 22239277 43032975.55 33674954.56 100232112.5 29501305.78 28912895.42 20325622.62 43697633.36 37747789.7 56526276.43 30744534.34 27430386.59 21660713.02 37196041.16 25284086.02 67522041.5 29589354.41 36347201.77 16807086.99 29269199.03 24159091.68 68300530.69 (-)-Vallesamidine 33723215.98 3068712.545 3969176.612 33723215.98 39425346.91 36719285.88 4187690.991 5566353.718 3864918.855 35462677.7 15620761.82 40666500.49 3525905.183 3380559.274 2175902.128 45127025.77 53974294.87 50157799.39 2899856.738 4078968.693 3354503.769 31785407.41 29493133.96 48959846.84 2-Oxooctadecanoic acid 102370690.6 33494513.17 66087888.77 102370690.6 63832814.98 89259423.06 43982226.83 76468074.71 42315157.58 63152473.81 52482912.7 166449189.8 55167538.02 35195732.11 53024638.79 35351356.03 61907934.83 65717743.89 45532061.38 38148913.11 18681052.31 44737105.92 40589065.81 54183451.26 2-Oxophytanate 419220.1289 1259873.991 2561203.944 419220.1289 246367.0169 413758.2097 6006414.803 3868965.009 6728125.61 421736.0213 338171.9788 815001.4665 548939.4317 10389130.65 2206200.795 234532.6058 255200.7575 231588.9161 1437472.56 12605343.8 2022413.382 4481094.297 2264694.319 1354943.662 2-Hydroxytricosanoic acid 11002921.59 9375339.861 4869780.202 11002921.59 11740053.65 19368047.35 23501966.53 5480760.733 3265362.657 20569583.91 39782036.75 26470731.97 27817271.25 1654209.473 4677274.67 1978950.298 42789641.04 27413957.16 39798378.76 1585953.492 1586972.094 26042819.7 50914408.12 61483937.74 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate 1693105.892 889507.161 1005127.835 1693105.892 2095468.104 2434790.736 1222682.482 735315.9256 589826.5404 3252515.125 1632574.487 1450145.975 462632.4743 835228.0322 929232.707 4130835.719 1468125.496 2202347.353 575233.4813 1565785.822 530123.8922 2800117.868 2765730.478 2504867.441 Rhodomollein XIV 10167958.19 3189354.661 5350916.191 10167958.19 10906551.57 14567663.85 3767482.195 3967108.501 4291531.778 12054840.32 9766968.789 9875168.455 3711362.042 3704563.746 2771908.22 10752036.75 8902389.316 7386620.817 1839901.538 1521483.405 1873135.622 11449066.79 9854539.047 8655369.337 Glu-Gly-Trp 521536.7347 4489477.054 7169290.548 521536.7347 1239271.602 636426.7578 4302035.521 2532920.237 6339604.035 2221329.846 2014395.654 883721.9804 6399958.002 8739584.269 4295891.723 2262083.125 7156488.992 4449683.4 8269577.086 8360079.892 8779551.312 847012.9302 2144951.569 2257644.347 Polygalatenoside C 24854751.27 18645130.1 32586174.4 24854751.27 16755774.89 11756605.7 10831698.68 13529357.86 23627266.98 15096123.88 26533506.76 12412240.68 13949388.42 25883210.3 32984102.7 16611068.75 22914939.01 19000088.12 9118831.136 19547313.11 16883886.08 19503534.76 21546199.23 17214410.44 2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one 9243105.851 2602521.648 4782850.6 9243105.851 7297550.259 4966639.754 7450657.957 2988289.656 5152412.258 4838198.717 8138791.932 4811379.623 130301.3724 1824916.493 7829764.434 4159405.978 7763602.154 6366672.488 723467.4077 1788994.283 3190215.155 10594235.73 10068221.83 6024554.475 trans-Caffeic acid stearyl ester 14967509.18 52834883.83 11467795.27 14967509.18 475152638 989195428.8 939411393.3 39664945.88 15875936.4 478051914.6 728199752.4 569544752.2 851733959.4 38991743.58 13949421.24 10739763.78 507126383.4 922532457.7 1065096078 54582550.62 22123126.36 512642441 1278737504 1448802191 Dictamnoside I 9903654.489 17746000.44 17417920.17 9903654.489 5602552.956 7377105.457 15132862.32 14420397.8 10731468.91 7575512.763 8647318.304 6502246.212 14653506.45 16105227.41 17052362.78 11496098.53 6854428.342 10856967.26 7395868.919 11807966.29 10027351.9 8067312.737 8642417.066 7697512.632 24-epi-Secasterone 594414.148 480164.5382 44859.11267 594414.148 43334335.54 42895514.39 33637785.86 70895.42471 36213.44928 26281737.06 54756950.9 31727084.55 34679697.62 64361.54001 9486544.56 225506.6599 39721412.71 61050921.34 50086294.6 64356.85054 34360.64159 31042959 75806389.54 75794815.45 Eurycomaoside 2348340.911 91801844.12 109842376.2 2348340.911 1629721.06 2286602.828 101875165.9 98805989.43 247387429.6 3164653.593 3563230.417 2496501.306 100953361.3 172886868.5 94582881.91 3921133.618 4326812.917 4899112.785 177942889.3 120617936.2 135249365.8 18941336.77 55602283.89 6883899.224 Epoxypheophorbide a 4104485.365 45570023.52 74706845.82 4104485.365 4761282.227 3077682.649 55513544.56 37685432.61 45972796.51 3837059.065 4052839.587 4929114.33 45086929.7 17044024.53 13641929.56 4477823.163 3809938.558 4100335.886 16377794.56 18312662.44 12797972.22 3982459.629 3849738.514 4744522.511 3,13-Di-O-beta-D-glucopyranosilgeranyllinalol 6343676.146 40430575.02 116799436.5 6343676.146 6034500.261 3754941.183 34711150.19 44808762.45 19690090.68 5670228.593 10426766.33 8010609.334 74891932.82 34333845.61 17175368.17 5565476.617 6365540.441 5889752.624 28873318.47 25900717.14 33792401.33 4585917.648 2656203.897 5256946.98 Dianthin C 3793526.847 1298459.225 567772.0605 3793526.847 5441619.998 4218867.668 3128639.226 214459.9684 126410.6943 2112828.515 2269188.896 3553020.674 258385.1674 180901.6777 1202593.218 5959325.667 9093079.269 7476576.212 830995.0438 667109.9139 850528.8606 6890925.617 5023234.565 4586452.517 Eriojaposide B 6082382.789 264269662.4 205716084.8 6082382.789 7485498.048 15030577.25 255051156.1 169956525.9 312800982.8 6903212.945 9639927.623 5166973.079 202121748.2 208251141.2 213134587.7 7592240.693 4331381.877 7698860 182001612.3 116779205.5 138533550.5 77642347.51 32826783.35 24535824.1 Steppogenin 4'-O-beta-D-glucoside 198695890.2 134199007.7 114300371.4 198695890.2 66989572.39 38369321.53 51530078.89 75371602.84 115846267.3 66470410.32 128341812.5 68187046.38 64388266.58 78849045.65 141657745.2 58141817.91 103208642.5 70109055.07 43200027.46 52807482.05 53114622.98 70611019.33 44713227.28 51515039.68 Icariside B2 2131964.593 16055267.52 13558479.37 2131964.593 1903966.585 4982154.607 12740306.67 11748080.42 14785637.88 1827416.845 3657985.97 2203818.526 11793968.95 19730105.61 13338795.67 3730275.991 1910487.412 1635220.042 25239143.65 23847564.37 21218457.93 2492171.537 3790875.41 3522851.24 3-Amino-2,3-dideoxy-scyllo-inosose 25540069.15 1334787.713 2647695.377 25540069.15 39432378.05 26776900.28 969067.3436 239978.134 1022841.557 34786109.03 30574507.03 21722988.44 524821.4352 1226328.124 298538.6035 45281272.3 21392672.79 37985338.74 193738.2707 3318400.73 525057.9729 35620913.05 47892076.52 45214080.02 Obovaten 15660241.57 107370316.3 83998064.34 15660241.57 36976088.32 18511052.09 111658600.5 49212094.69 60611377.53 17261174.28 22594982.26 7038657.339 19149110.19 36955646.52 61231781.96 36145201.91 23904014.23 19584108.63 20636483.27 29441449.39 28142469.68 64201509.99 18055540.66 24113361.89 Phloretin 2'-O-(6''-O-acetylglucoside) 103531330.2 11481848.95 16617026.7 103531330.2 26333554.36 24962788.52 10486817.94 12283253.38 29789355.29 40766983.39 46285012.59 83945021.06 8397813.317 16634161.68 67617317.42 28834038.87 33820717.2 29346836.46 11433041.75 23717687.57 24913127.88 35499435.56 46796021.46 26833559.69 Randioside 24871282.1 535065948.6 717558588 24871282.1 14643471.92 10803686.33 496997502.5 800056357.2 989048793.7 24520043.07 45798640.02 15476664.99 469655766 385779792 779349887.9 23962645.73 18822309.13 15255015.01 775444370.9 814357236.2 602380857 55344184.55 33401923.48 36289455.68 cis-1,2-Cyclohexanediol 133259502.1 7416950.686 27147797.45 133259502.1 96618613.43 94921866.21 16123944.88 8005555.359 17861333.08 115428262.1 148401567 133250065.3 4260553.667 9120043.022 8906666.313 89199683.46 96184869.96 97355731.44 6208849.398 3989549.126 13024094.15 158522386.6 91316010.88 119903976.9 Dendronobiloside A 3039710.45 9029510.481 8933413.12 3039710.45 6335014.305 4563163.358 8909818.653 8064137.896 7819108.568 3838239.592 4184145.967 2133827.988 9998650.261 13371256.19 8952119.878 2247772.245 2832293.569 2947406.892 5098386.438 2610513.934 8700109.138 3962164.695 2015429.125 3273075.131 2-Methyleneglutarate 16583392.48 15470104.23 14733440.1 16583392.48 12626935.81 11793807.12 18558269.62 9798845.867 22515993.13 7370475.813 9795106.69 9126634.838 8905781.234 11578312.87 13734321.74 14063094.71 13255586.58 6627027.718 9912605.97 9747840.535 13493195.71 12380845.33 7096969.009 14152450.99 Ile Leu 40238947 47116680.32 29121221.11 40238947 44605447.44 59633853.01 21105977.57 19473553.9 36407111.81 46558051.38 57260131.84 31103926.5 20538326.07 23969345.01 15796943.07 44035541.74 23588451.63 28893542.99 18048797.65 12756987.43 17668736.12 35427525.01 32732141.72 31639997.66 Muricatacin 8190235.843 4235598.313 6436853.086 8190235.843 7687004.862 11405588.17 6565616.984 8407410.634 4958151.698 7305080.845 10364117.88 14001030.84 4137381.41 6373909.945 6102475.27 10375960.26 3491199.702 6636751.646 6953474.826 7203685.49 2744613.05 4020130.756 5398198.327 8601333.527 Val Leu Asp 7460298.611 20430672.43 11275919.24 7460298.611 10777749.79 12190987.13 9760506.052 10560640.68 15022984.33 13468567.77 14579050.62 11454729.49 12153727.35 16024143.6 6317948.561 8342895.002 5158796.219 4367376.414 16724581.21 10159119.02 13457303.28 9152847.566 11209999.25 10769495.28 Asystasioside A 732695.7425 1190789.061 6421981.213 732695.7425 226720.3111 646048.2511 1862012.463 5039426.395 7370516.178 181878.9515 102415.0525 195783.5892 305278.756 6009458.527 3285220.867 605557.0389 738283.2556 1032777.597 37930830.38 41860670.3 33209935.37 1331235.353 642282.5824 1302075.431 Gagunin B 1185415.049 88949619.68 136699729.2 1185415.049 7677024.57 12344025.38 91863251.6 157558385.7 118680054.1 6464047.338 2560790.08 5441167.459 108693402.6 75013980.77 98778039.28 6437419.798 10059112.44 7047401.698 47411859.13 235578006.8 169540860.3 7837977.071 1824116.209 5303939.247 Pouoside G 10347759.87 19257458.86 15482269.55 10347759.87 18752525.47 16424590.41 22723360.32 20392968.21 20630243.83 15224119.64 16912098.27 11625691.12 19087045.98 22243131.37 24895854.18 17131481.25 15582655.17 14612785.73 22976363.46 14756142.46 18393846.49 22147991.74 20427574.89 15423708.35 phenyl glucuronide 28040496.94 9007056.413 14649947.8 28040496.94 16248079.72 16992776.35 9483851.908 12344305.43 15717124.39 13656356.88 29291381 17168288.45 11133161.11 9549831.968 8413016.915 24677874.38 17933014 13592305.82 10943432.34 11764775.64 12197360.79 17681609.23 27713597.65 17714524.23 9,10-DiHOME 274154813.2 73245381.23 95484489.85 274154813.2 562437096.7 560290266.2 199100356.3 94215695.45 97580492.36 649776616.5 195497857.6 361835605.3 30921204.24 52170111.68 73341418.32 441716919.7 255205350 375532813.2 29136190.73 49445798.44 65687514.36 213079586.2 289313471.7 341879892.1 Isosafrol glycol 34494307.71 12048411.14 20352843.12 34494307.71 25271996.49 28849322.82 14266160.21 12315049.71 15358092.16 24548971.15 33793489.32 27388259.46 10507277.93 9084419.44 11883329.72 27802422.15 29392964.78 25517239.36 5808497.705 7483280.134 10439564.99 39752531.41 30390385.52 25721092.47 L-Arabinose 41843323.46 928866593.2 930432981.8 41843323.46 21507326.88 25873599.52 953485364.2 1030631578 1252708366 27353405.93 22892766.63 19228472.33 1352116197 1591150828 971181628.5 38549154.17 38513780.36 17979373.14 2210676206 2314933543 2137002937 173980727.6 303446636 63044945.82 GEIR-3 10862482.26 4761518.954 5334918.426 10862482.26 10737532.84 13396248.96 4260266.363 5108138.902 5080319.694 11621795.22 17718472.53 8538384.918 10689686.45 7506162.557 4071212.063 18909069.37 10457255.47 11417446.16 4292291.298 4571736.898 3765971.868 9439580.757 17570769.34 11400216.54 Tensyuic acid F 11575789.81 3580659.773 3200579.545 11575789.81 9635032.628 25714260.85 1862334.663 3607680.703 3793750.646 9799285.214 19371572.52 9092575.136 4762180.462 6820224.245 2675590.812 20255239.36 7436324.44 6291562.464 2820140.104 2216219.029 2279073.374 9287719.678 16391998.42 12852330.48 5-O-Methylembelin 627619264.4 98213636.68 100902774.7 627619264.4 426090798.7 369506859 139479028.3 142482987.1 80032988.57 374471676.9 249302415.2 575853587.5 120049100.4 95460083.71 172757394 497702597.7 727282681.6 573367706.9 93158284.67 84825202.21 96474848.28 363539721.8 316704054.4 461624255 4'-O-Methylgallocatechin 6454588.707 7725925.199 7657991.698 6454588.707 4612222.016 4563411.831 7788126.608 6583927.166 8324270.86 4488448.64 9945927.034 5685955.986 6732800.232 7842734.91 7348739.16 6226114.628 5314323.587 2245397.415 4933694.007 4774831.674 5427528.224 5141382.853 6045366.475 4619455.75 Tetradecyl iodide 3537655.208 7157754.516 6176202.26 3537655.208 4337696.858 6714041.215 5323724.267 7978793.17 9075383.126 5398940.404 9996919.242 4016003.86 7015369.699 8075727.296 7803849.764 7031196.538 5268304.186 4103121.223 4277296.771 4478789.066 5153834.346 5847501.567 8732036.924 5221365.311 Coniferinoside 31629825.31 7447756.13 6027507.927 31629825.31 12155746.63 9783252.505 3955193.629 6815862.743 10253541.24 8424489.318 26006188.9 9936995.07 3908691.905 6594094.72 7254628.518 11766542.05 20943109.74 17836047.73 5479656.734 6850487.595 4402336.444 17080943.99 14822020.83 13931598.58 Atractyloside D 175756107.3 107141605 203730901.8 175756107.3 64415148.51 46997641.23 57132188.36 245959551.2 46073243.94 54686356.46 248001722.3 177931288.6 196694119.2 430106052.7 89142940.95 170325542.1 158337629.2 332334623.9 59280647.14 94564993.96 108342910.9 98426122.57 69533499.33 62317062.19 5-Formylbenzofuran 2877723.189 11683618.83 9411362.41 2877723.189 1332525.404 1451447.539 7550909.399 10660385.5 12774184.75 1300178.37 3221447.526 2216371.272 9447787.907 11479323.81 12883133.15 1493366.689 1786894.143 1726630.875 12929542.05 8663773.516 11251243.56 2115032.608 3833367.076 1902039.972 trans-2-Phenylcyclopropanecarboxylic acid 14527561.65 7941366.479 28676747.37 14527561.65 27959743.22 25415445.75 25621181.77 16501011.82 10687596.06 16195134.63 18633526.96 15660608.61 2705897.701 8286134.091 19088116 26932216.22 24985345.03 17473811.38 3498091.749 23754631.72 12227777.65 23875175.71 14737897.21 13863498.96 LETHEDOSIDE B 20906911.73 1256742.837 538272.4705 20906911.73 31109312.42 15433299.52 1147654.884 1199223.757 1256221.242 17513973.38 21748558.32 30035155.62 1214660.504 2469512.228 619665.105 18922384.97 24848317.18 13754927.45 1653502.37 373468.6861 250794.0115 24350846.21 19405694.62 28395197.07 Bis(glycerophospho)-glycerol 3017325.688 1151360.093 1457236.908 3017325.688 1812918.505 2874859.184 2084726.686 872299.5297 1621897.735 3259758.492 3454843.829 2639130.688 897052.1111 1426804.316 1672408.148 2698871.862 2819607.617 5386105.806 1084236.914 1422109.841 1267187.48 2881887.71 3522759.526 3022083.858 Apigeniflavan 5-O-xyloside 13800789.02 15826203.67 11389956.02 13800789.02 13909449.8 11216494.9 13992558.17 13403552.48 13099906.55 19121929.66 17433578.51 8913016.108 11461363.56 10259253.89 13395001.97 14798391.52 10666256.92 11897547.48 5177138.571 5672342.127 6477643.625 12768862.6 17280291.23 13048877.07 GLY-GLY-ILE 26223501.74 23894787.07 15979372.04 26223501.74 31715922.68 39246105.56 12503098.96 10669687.76 19113420.88 37603299.4 34902252.39 23850355.8 9564072.718 12228841.11 8407577.222 26316816.11 16361554.77 21731447.39 8113822.709 6112064.56 9762300.314 24837508.68 26908936.55 25106649.66 gamma-Glu-Ile 38947893.62 24040475.99 18017083.35 38947893.62 16584838.07 18951603.08 13726370.89 11972568.07 21302104.24 19355352.32 29746525.93 16227550.54 15910543.23 18391049.09 9195771.707 15867735.22 9971943.137 13276189.01 21619025.34 39707974.08 20448800.96 15463384.19 16913055.41 16608497.45 Acetyl-maltose 26465092.46 194832.9914 625217.2201 26465092.46 16181381.45 12309280.07 1511819.939 238988.3073 634876.7008 24631973.05 21700339.14 54364126.84 508988.4629 319495.4016 1509007.632 13830395.79 13115151.15 11765332.51 498298.3971 1945502.239 892056.1315 9634050.126 27320350.14 21486413.48 Sipholenone D 81817613.4 465206.7818 115631.1295 81817613.4 60306248.59 66169923.11 1763798.95 492336.9476 69558.31877 53367532.42 87147082.92 62385602.78 1161246.38 639645.961 133611.8388 74686688.3 84194619.43 71685067.76 1321805.262 443112.8285 157663.4495 93316573.07 144454444.2 96547236.39 1-Stearoyl-sn-glycero-3-phosphate 22176549.89 17418027.52 22820408.44 22176549.89 19144433.35 17678500.51 17387541.34 14368786.58 18144258.68 20672253.09 36137522.55 22549076.3 7032401.903 22113595.65 18530208.86 31516883.43 16967358.69 20173066.4 6276243.412 12897626.89 5638769.086 26346913.42 25969837.54 22156689.48 Curculigoside B 4290717.324 3986432.912 7663582.509 4290717.324 2442027.866 2141893.285 5402666.403 3036010.18 7808156.167 2669531.789 4206629.528 1712152.618 94464.73468 2246791.969 5084605.334 1908181.381 3205169.261 2519354.824 1798291.404 5930108.335 3293251.483 2317930.77 2496408.1 3195249.062 Okanin 4-methyl ether 3'-glucoside 51873678.97 9998841.251 13944701.91 51873678.97 40346165.52 40615361.6 7920960.526 9739350.985 8169331.796 27293602.62 34439446.3 46690853.78 8247222.682 6072520.947 13849992.99 32181039.83 37981205.89 21471461.21 2180798.132 4850059.162 7001333.334 29362109.1 30051035.8 27403690.02 Proacacipetalin 3089815.709 4933904.835 10381616.25 3089815.709 1195492.847 1210862.777 3531342.446 14629675.32 16058235.49 1423941.413 1658062.046 1842466.563 2995294.891 9370422.78 9964078.5 3011631.35 1578377.93 1051012.17 5609872.591 8309072.944 4611486.788 2287690.164 3436312.508 1903431.671 4-Nitrophenyl butyrate 3480578.347 5741553.272 7092655.329 3480578.347 1986591.359 3495798.397 6266938.444 5848601.514 6575557.096 2391371.935 2526893.353 2401591.361 5251292.31 6962536.506 7029915.473 2393646.502 2796381.537 2759268.134 5523335.048 5238867.888 7121481.303 2887685.438 3799527.551 3059401.348 Methylgrandifloroside 18258551.13 32072651.27 23286168.74 18258551.13 9862126.009 6608661.072 14905144.35 40352363.69 37881625.33 13639821.66 16813420.27 7452377.03 8184619.532 29574231.05 28320080.76 8999855.75 12686751.71 6333643.001 33114789.83 24590713.38 23333902.42 17768849.8 15463565.33 15753242.8 Turpinionoside E 296890.6248 30658315.17 26219272.94 296890.6248 242719.9636 262171.4419 25550993.03 30629698.97 52809189.76 537073.6785 261324.2583 316411.5698 41638406.48 35805334.54 30880756.39 225871.5312 249044.4869 377464.4171 31313477.85 26739839.76 28563562.62 2585506.465 4388882.406 794111.0279 Cetoniacytone B 114995.1365 2090598.444 1665977.177 114995.1365 493600.5914 707619.1419 2570541.904 2871574.275 4587831.606 451714.1887 728826.7759 285778.7739 1402313.487 2837822.942 1890340.068 617228.1585 388611.8081 520535.3276 1548710.601 1994009.099 1235843.96 1009260.726 1660276.856 509004.1075 3,16-dihydroxypalmitic acid 267962.2329 11479419.21 8695954.466 267962.2329 288640.8205 430783.4312 9690641.962 6919897.806 7403091.977 801490.5157 1123820.285 126284.7864 6852904.523 7083204.105 7536965.415 1061287.52 352826.5448 246133.3297 3786626.031 4655828.48 6287672.771 1410053.306 1404271.185 775140.6945 (6R,7S)-6,7-Epoxyoctadecanoic acid 8545383.136 6532497.37 4914042.573 8545383.136 9370743.02 11990952.8 7727143.794 5745787.828 6032457.571 10453952.88 8182400.814 10510668.26 7081393.692 4073263.007 2879170.296 10157079.17 6705000.423 8541053.875 5138353.438 5392257.307 3688706.065 10187013.6 8217345.798 10986900.42 Gein 18460071.43 5301458.51 3517361.694 18460071.43 5967248.603 3818223.28 2385940.626 4684844.3 8758386.356 4470367.231 14172478.63 5114405.686 1855108.817 5559944.739 4381486.59 7655526.29 11815435.26 11535603.09 3497768.802 3568611.881 3602621.231 9147353.301 10540511.49 7814904.191 Tomentin 6-glucoside 10923744.59 26673557.58 25331315.77 10923744.59 11284192.45 9671130.311 22704351.55 18631554.71 29962760.78 7093995.778 7069782.851 8053736.137 19897093.71 22480638.95 26572075.92 7456236.588 8991932.15 5948990.862 16646125.61 23372510.39 18088160.79 11709936.21 7533634.706 9335682.727 Robinobiose 8005499.643 28848666.81 14167030.61 8005499.643 4178804.72 5653994.95 22477703.32 14519063.64 23066435.82 6923128.728 11823319.1 17076326.64 15463930.66 57237549.17 44868243.1 10114979.08 9101961.319 8239617.256 53498859.55 30482697.8 86900502.29 7811853.154 11217464.63 4860910.622 Daldinal B 42867812.23 1422748.873 9217392.061 42867812.23 7736232.985 18596898.94 5008463.021 6186039.024 4862068.075 9992397.752 17838760 20889619.07 1460417.574 2531231.962 12763334.67 7621327.99 41166710.98 58256182.19 427651.2316 7764411.066 6039938.982 8160406.554 17956804.69 16639445.81 Dehydro-1,8-cineole 4974821.517 6607119.894 5439342.964 4974821.517 4313126.654 4442932.703 4788960.907 3929652.477 4713511.671 3554192.25 998966.087 6383743.283 5281215.441 3451176.511 3917084.973 4674540.715 8447057.469 5596217.851 4773336.041 4131314.727 5462200.083 2470897.486 2241901.583 4964433.848 Calystegine B1 29426885.75 154949907.5 149206870.6 29426885.75 16821611.25 20609077.55 143989382.3 166554080.6 174508437.5 25567030.74 34246499.63 24473228.99 186070611.5 209495074.3 167731456.1 37473903.1 22407349.02 15791161.09 243354776.5 226486420.9 274088153.5 27244212.91 34228012.92 27685622.75 Dinocton 6 520082.2592 40847694.56 27775342.47 520082.2592 509839.8004 763448.7451 43373407.35 24834859.06 43350511.38 1116176.982 565700.811 958611.067 22193795.16 32475956.53 27434594.92 861150.8167 810274.2546 892412.11 36343751.53 52508720.56 44702342.33 4432757.206 6654459.066 1021170.514 LysoPE(0:0/18:0) 867936.8722 5086518.671 4209257.095 867936.8722 1106758.765 768121.9441 6160452.322 3409030.337 5253387.694 1089261.002 1029973.729 1405227.228 6396066.619 5074530.203 4114333.249 1854491.38 514347.3145 1190266.342 8595226.079 15164695.81 7049400.466 1844325.699 852752.4912 1591430.343 Eriosemaside B 14115949.81 796515.2319 250748.5295 14115949.81 19680677.82 10886897.59 1364044.019 360565.0982 1088274.258 11444844.81 34764323.17 14820631.24 115247.7552 1506782.107 133596.2631 16112328.54 14963725.59 20300942.53 319246.7381 233756.3741 844684.4482 13520340 13768144.95 15555195.46 Dodecyl glucoside 4339792.522 395233.0618 1927054.244 4339792.522 9763659.183 16439179.47 968347.2991 181011.8966 571911.0812 11428756.91 7778659.182 4035981.234 831123.5079 157390.2456 105098.9425 4962695.397 3698513.448 5099329.196 648372.437 137795.4897 156645.3462 4160649.024 7604019.272 4673570.915 (-)-threo-Iso(homo)2-citrate 58512290.85 99538927.49 78136983.76 58512290.85 56342282.79 52198767.4 89752647.59 86569490.04 141105882.8 57743303.51 74455209.49 85736551.07 88981709.65 93875114.35 114895172.8 83636774.03 73967353.33 67803319.32 63049322.27 91169830.43 75800514.82 77905830.4 55506357.62 61123840.31 H-PHE-ASP-OH 11986621.93 11947064.03 9292739.828 11986621.93 13111013.49 13320750.82 8164739.984 5751227.278 10365295.66 14286701.7 16988056.68 10948338.23 4764088.766 7418771.753 5691554.489 9655353.821 6493856.109 8802124.413 7899857.946 6042352.788 6283217.918 9509003.888 11762941.85 10455237.29 Diosmetin 7-Apiosyl-(1->2)-(6''-acetylglucoside) 7205033.217 1096905711 703921684.4 7205033.217 1528590.236 866139.0436 469283184.1 594570815.1 476601496.5 10310823.8 5829840.844 228624.5191 1184425984 542967837.1 693526619.6 7715641.908 730358.1443 2821367.567 313344068.2 388503113.8 414096006.3 22210256.43 41401339.78 4774426.46 Benzofuran 51064948.6 19914216.8 69571393.17 51064948.6 38862702.37 45648834.19 23889759.31 20381570.64 27046684.8 36667340.64 54054669.47 43488330.09 15939468 19218558.31 25826392.5 40113070.38 44011213.82 35721144.97 14594709.25 12190238.02 20784469.17 62513292.13 32466959.53 36944321.77 Palmitic acid 94467926.81 51512560.61 45027006.32 94467926.81 88398899.22 87994728.29 40218896.66 43339477.57 43169929.34 131918452.5 107725454.4 104209683.5 31661337.29 40920215.32 40871452.14 90048073.47 87115902.99 84675793.25 27060359.42 28824717.73 26363158.54 85598818.5 97148230.33 109318586.1 N-Acetyl-alpha-D-glucosamine 1-phosphate 15599140.8 6638525.946 5134126.724 15599140.8 9197703.085 10179912.05 9335195.634 4772480.35 8419898.541 12541689.61 13971994.45 15110905.85 4837411.516 9346008.636 8121694.463 12433961.22 13958436.16 12206999.79 5140220.463 8618643.725 6735579.133 15900154.77 17928616.51 15953885.25 11-deoxy-PGF1beta 11600823.98 1730633.416 2583793.126 11600823.98 8054240.367 6688879.419 3643120.134 3585202.457 1636377.409 10503780.69 4920745.554 13431911.21 1397713.067 2306653.116 2248622.989 10384003.91 11443635.59 10809524.66 755369.5494 1979209.935 1985854.159 6950310.885 5104751.288 12350417.8 6beta-Hydroxyantirrhide 34642758.04 16321448.79 16050220.75 34642758.04 23510303.18 18018276.23 26090132.51 15270330.89 15641293.48 23622147.19 30024762.73 18234736.75 13484366.43 8869576.007 16981980.88 24434053.81 30812023.51 25292262.62 8154201.062 9832139.618 16653606.64 24166521.01 24131583.78 21225723.65 Ibhayinol 10501037.78 29648519.8 20923398.65 10501037.78 5245305.361 6511961.752 17977187.69 54369548.28 30473041.92 7000813.347 19959680.48 7275909.538 84751240.03 90392858.39 22880133.97 6177729.376 8744415.229 7885438.692 116700371.6 90017577.8 81616435.37 11731247.04 4861380.446 5705847.744 galactopinitol A 10410151.39 20659678.93 21540348.18 10410151.39 9302329.058 9031142.428 23498384.82 20880899.83 20800895.75 7211217.16 9791637.249 8541619.546 23234760.82 20836492.45 26539280.58 6846272.198 9754983.497 8478351.049 26601849.37 33090249.87 28519415.19 11280493.95 7137283.569 7746196.183 Fraxin 67000529.09 218379273.8 212421917.5 67000529.09 23923772.57 15178211.87 116904653.9 346261664.1 182354011.2 28540880.65 34929746.71 48307187.53 140452619.5 243392954.4 184695625.6 41834185.58 18591345.61 34484546.39 172013846.2 260122726.2 192101756.1 71497654.84 22886540.46 21895365.45 Lauroside B 29528787.09 57535171.02 50344133.55 29528787.09 41288162.08 11576732.9 57341681.95 40354611.85 37078593.75 30797579.17 85262674.28 20962148.48 28781845.16 41123778.63 83053494.4 23915668.47 17754254.68 45443597.94 58597408.62 38701231.62 49012644.34 16233344.21 11051735.06 13027454.33 Vittarilide B 16052556.02 3179270.998 3938955.616 16052556.02 5350200.406 4693900.562 2744806.877 3578683.299 3174466.126 8335424.594 13065100.84 6862652.39 3180922.698 5036062.255 3131119.376 9365528.012 7448795.791 4757015.1 2316345.593 2851920.498 3224034.579 5473734.576 8960273.465 7008199.767 Cumingianoside F 40614624.82 289507003.1 294242547.3 40614624.82 22811178.2 34297493.07 285458435.9 256394501 253883979.2 31742237.43 25518225.68 20380545.07 301341277.9 217534062.8 380592854.7 18542644.79 14802210.9 32968450.31 364322885.7 241350688.4 251331383.9 18755118.44 8497365.507 14115536.62 Isoharringtonic acid 325883963.9 40154972.57 99799717.31 325883963.9 686341307.4 616881394 76897477.49 19398639.39 53748900.67 758277776.8 450830660.7 486222162.4 33270895.97 28604013.08 29918089.23 535639117.4 875977347.4 745591508.8 29953088.65 21542394.49 89831292.3 1244941649 834242085.9 483012649.7 Frequentin 21764427.61 530427.2905 625488.6597 21764427.61 41395554.43 43827927.38 345637.7743 858422.9669 1165860.249 36210525.19 20706170.77 20551258.41 540888.6128 1104704.04 114606.4291 35960588.66 19615966.36 18250184.71 330765.5114 257361.8913 308055.0083 11947539.47 11683122.01 15705784.99 phosphoethanolamine (P-16:0) 3976004.935 2876000.461 2393218.615 3976004.935 4843227.469 8263051.327 37060.61685 1782272.527 1920057.27 5790886.653 6738863.896 4146420.388 1781154.786 1837941.548 1394013.07 4455206.458 1358001.264 1338811.951 3868620.682 2565687.611 3139732.51 2270441.751 1032818.683 6016992.018 Porphobilinogen 7474485.744 7722771.36 7080019.76 7474485.744 4865899.621 6153852.467 8695794.801 10140052.83 9424371.366 5655683.556 8314144.883 5818513.997 9839775.568 10346531.36 10101135.03 7337159.443 7028649.99 6628347.629 5942750.881 8074257.482 8811116.064 7494526.007 9415337.324 6213101.504 1-O-beta-D-Glucopyranosylamplexine 2554080.173 38687614.07 34364976.81 2554080.173 3268372.888 3218092.48 36185374.61 37598022.86 58734911.97 3910460.575 3568087.086 1521179.946 51945075.92 33294921.36 33303992.06 3260531.401 2560746.333 3206055.847 64080657.3 64729682.03 48129028.96 2839719.45 4754099.217 2326649.432 Didrovaltrate acetoxy hydrin 17658720.77 14220153.75 25087491.03 17658720.77 14417004.59 7330441.494 13896470.15 51851247.57 12444092.44 9810382.175 12337679.3 10848476.96 11073932.44 12260552.22 27688500.14 18207038.13 22788039.95 15544710.61 27893871.99 21910529.42 21380079.42 10683714.09 13504312.86 7707877.71 Chavicol 14717287.66 5760816.624 20866777.37 14717287.66 10468329.03 12469590.73 6786077.197 7026928.973 5811170.763 9820967.341 14161040.24 10853026.54 2588781.537 4581052.236 12502415.62 11614750.54 12215239.89 10728584.84 6068275.662 6851167.615 11534352.36 25982489.87 9814476.766 10598815.25 1alpha,4alpha-Dihydroxybishopsolicepolide 28794138.72 11262239.59 50216924.02 28794138.72 12187666.74 3038842.431 14073122.35 16970039.55 21398135.73 9135430.442 7948941.401 102284393.4 19149627.06 19607426.54 47122438.04 1675041.239 22119117.92 4416519.068 3650391.598 17738570.02 40235704.9 2316096.18 6399898.607 46904634.19 3'-hydroxy-biochanin A 5147520.653 239302657.2 178948227.2 5147520.653 8509801.25 1306406.547 276580381.8 167456006.9 247212450.7 16372627.57 4128436.707 2643832.831 161227895 218690358.1 214154031.2 7134979.901 4727951.133 3650718.257 125841253.1 143677887.1 163567652.2 20738983.73 5654739.046 10240684.89 Melampyroside 11955678.69 9850684.074 16471424.83 11955678.69 7710982.963 6388451.439 6947178.278 9772363.951 9128663 7669539.356 10376819.44 10525169.87 7610377.631 4663763.916 21309273.39 10060838.58 11537964.64 9006712.493 3006519.91 4632301.102 6726331.832 6424163.017 9093959.794 8419596.494 Acetyl-L-tyrosine 9512496.208 5411861.306 5221527.767 9512496.208 4746382.325 5650921.707 6433799.198 6379039.998 12879494.73 6777394.212 8668159.162 7165052.169 5444666.549 6379426.213 4703245.367 9026736.475 6088936.985 6955755.919 8258914.395 5605151.151 5544333.487 8011497.971 7953489.343 6149896.193 Ligupurpuroside C 799474.5949 3967355.86 3972988.499 799474.5949 853953.8307 1010162.52 4010775.3 4360841.355 9476000.269 1300513.801 1274676.01 121980.7883 5743294.12 6565163.138 3605071.454 1678744.859 790266.2828 962267.603 10754426.81 7463765.882 3671267.384 1305175.277 153836.4868 1654364.641 Cumingianoside B 52326410.8 35528151.51 26862726.67 52326410.8 59029747.24 57212942.02 38129702.48 43244825.65 44188149.18 38413801.14 33750431.89 53711444.16 35838426.5 35702562.38 35138760.27 54577460.2 40452624.49 52564534.56 52667724.24 312659462.2 115062738.6 34343694.89 44337117.27 159000403.4 Trp Pro Ser 86074100.07 124104129.2 146524646.9 86074100.07 23512181.91 32699994.9 61537633.43 119653246.8 73541541.16 39633711.17 101103975 33700845.87 60477275.83 121302832.3 117791685.7 33046251.31 31941629.08 32896127.22 77837623.39 76162442.71 88162574.12 35348587.09 28779132.71 32955687.89 cimifoetiside A 20832258.01 2103520896 1523976298 20832258.01 10833166.93 24851369.1 2519974364 2115706689 2523861045 47303103.59 12192320.56 16217862.51 1901889076 2262579366 2303183941 15664722.29 10300453.8 17458378.03 2356667875 1778198634 2491903825 119458049.4 17824222.27 24005303.39 Asp Val Leu 3176089.471 43586522.2 9687805.112 3176089.471 1114730.189 2699314.95 5017961.749 13384009.08 16366328.72 2296637.194 2434204.235 912295.3452 11482786.85 14552379.74 5037142.081 1287964.212 888711.4784 1154316.963 10813933.16 4230792.17 5879007.518 1985710.198 1921895.68 1229385.839 3-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]propanoic acid 16646552.75 2858187.691 1724257.547 16646552.75 23563065.68 12532875.46 1726552.3 1705645.713 1902043.809 30390747.33 17940895.43 25012165.57 826910.2891 365823.4265 506548.6526 23590515.2 35362799.8 39873417.93 726519.8634 1030177.681 1234960.491 36271748.34 17788986.22 16244650.01 2-Hydroxy-3-oxoadipate 8467399.208 9281610.368 8242830.856 8467399.208 6312193.065 7498263.414 8070759.172 8916163.376 8037366.087 10369496.02 9163102.069 6578884.177 5714187.664 10163730.43 8450310.205 7825574.618 7331279.99 6730851.494 9833983.736 6430572.196 11403802.51 8626448.52 6572067.94 8855489.616 13-Acetoxy-3-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide 1494462.876 471794.2989 557345.8984 1494462.876 1509844.215 1016499.628 675765.7923 269386.0442 1040110.938 2496389.104 2418142.777 2107861.273 748486.073 865861.5553 511829.5589 3131358.074 2504893.922 2394575.978 396680.8933 489210.5406 222799.9528 2435649.707 2209519.14 2933518.712 Annuionone A 35157035.44 737244.7022 1402750.983 35157035.44 31758299.88 34348414.73 1141249.747 1512807.21 363624.7998 25362490.02 13535838.01 30013967.67 1008444.047 1358390.779 852998.6108 34470225.03 47579150.49 43042959.5 1532500.677 174249.1899 391776.9099 22282224.01 20981056.14 23571550.84 Capillarisin 2740792.913 6166922.364 5677166.238 2740792.913 736027.7999 880393.6779 5202926.793 2601856.837 6336200.436 1354107.693 1715022.799 2263647.53 1955566.629 2349176.355 3069686.505 1057793.687 1461686.656 754650.2347 2155454.222 1561703.123 2848825.078 1295660.482 1037986.287 1514920.077 Ulmoside 867400.9992 150865059.4 186176092 867400.9992 307731.2413 270127.6618 89898371.51 95706380.57 249489519.6 289867.9943 1135495.628 799479.6662 86928020.17 183547713.4 107726925.4 197599.0206 1244656.841 780305.5676 232676481 347722012.7 205646451.2 1281942.207 2499211.165 991911.8544 Dentatin A 342468.7107 102097945.9 83213751.44 342468.7107 883911.552 398408.4612 78251423.46 101133214.9 217106638 2181386.757 637187.6233 358420.6859 104521108.6 162216595.5 81921621.06 975845.8787 1078187.582 674952.2331 185986615.9 155005367.1 158422311.1 15527243.61 35486035 1490792.471 Paeonin B 126680801.4 13485437.96 15583917.74 126680801.4 85168515 27560479.24 15765830.3 21133026.61 43920848.89 61299665.09 87722634.15 80308844.4 9881182.189 22024136.38 31371460.99 27896500.57 96558173.81 72016951.46 15178262.69 27710434.02 26076575.7 85757133.05 28102439.68 81205640.34 Limazepine C 202463.707 38889416.16 21422055.24 202463.707 173020.6046 301515.0182 34253429.46 47139071.97 72713146.86 546064.2484 178577.2334 59356.15892 37795256.13 36032169.18 33451471.01 222350.409 822817.1255 697149.5443 33135038.1 35981499.85 28173332.4 2745767.921 3541062 541529.3816 Aspinotriol B 115971951.3 45450381.33 31582223.08 115971951.3 143460210.2 163564351.8 47472846.39 50765289.13 25351751.71 141445215 62007322.95 133764075.4 16842991.13 20576348.94 31493162.49 131525093.6 134773891.5 142147087.4 8899233.19 11380339.32 17983638.25 83428447.94 82870672.83 104412838.5 H-Met-Leu-OH 7006592.893 1136727.624 234834.2194 7006592.893 8656262.16 6859525.403 204423.7041 118350.8681 421172.8955 8122279.405 4490879.156 4409969.51 140868.2846 154571.3067 531856.7716 5845375.692 2512779.76 4318708.348 73942.69285 126776.866 102921.8175 5511397.514 5243636.251 4811538.257 lysophosphatidic acid 37709775.08 29471377.44 33686406.2 37709775.08 51331123.68 72914018.95 36526614.88 54985822.4 44432054.16 52299817.08 27850878.17 54402417.64 26013654.72 28233906.26 43312380.22 77773467.81 42913273 64757110.03 20858908.81 32717601.97 20569822.39 63207206.44 43172604.01 47736436.99 2,5-Dihydroxy-p-cymene 741896.0466 3562498.042 5136523.881 741896.0466 226107.8291 193772.554 3518607.341 4982431.888 7317031.065 318934.5293 1010515.852 104477.7568 7792692.19 7931603.964 4255155.006 249246.1711 186030.4337 204812.3855 5222492.223 3963439.095 4510932.776 166533.9461 1320910.78 86488.39072 Boschnialactone 306477.4977 3689611.173 3756880.71 306477.4977 198137.4874 250193.8155 3196235.432 3739825.471 7944824.607 99037.5687 1341014.137 570392.2232 4116695.102 6232738.688 3551350.275 625712.944 781491.5437 119979.6957 6601495.345 5315747.153 5630511.138 620836.1288 1225637.527 120306.0066 Methylsuccinic anhydride 26995674.13 28853746.23 31100276.04 26995674.13 18473665.85 16835479.53 42811152.79 28618117.62 39410974.89 19723713.82 32472340.23 20904798.03 22446169.55 79483947.38 31750044.87 18760519.78 18202067.58 15640805.27 27653398.28 26191357.26 33081492.4 16056018.3 17547859.57 19650163.28 Kaempferol 3-(4'',6''-diacetylglucoside)-7-rhamnoside 1013788.954 29420357.5 30101185.37 1013788.954 920972.3235 1102032.947 19925175.16 31424260.85 23881009.25 220262.4731 1283279.473 898630.5158 22907827.75 19347999.79 31567424.51 1595866.803 1052121.334 1052998.418 17152112.77 17351893.26 18967486.69 240027.2701 422483.3124 1701700.3 3beta,23-Dihydroxy-30-nor-olean-12,20-dien-28-oic acid 3726110.161 36950.80324 2888721.802 3726110.161 9610379.656 9795759.249 260329.3754 1534972.302 1109310.824 11595464.58 7515272.51 5970416.405 351673.3337 1978528.819 2485672.515 7748066.765 10660183.73 8773235.114 350274.7823 2353701.342 2682118.506 16810779.39 18368194.41 11674665.77 Indole 1397373.26 3037593.494 3032063.287 1397373.26 1534834.811 896381.8023 2626311.176 3400007.534 3580452.351 3234477.561 1424765.996 1705201.809 2462233.722 2023409.663 3054102.213 2755087.834 1368638.845 1152245.817 1652337.37 2318017.296 1941652.258 1303575.79 1310650.559 988181.8852 H-PHE-LEU-OH 16053142.67 13957424.91 8116843.456 16053142.67 20330089.8 26379221.16 7306767.552 4594982.892 11743735.03 23366436.35 21532848.21 13141195.61 6284611.501 7048065.615 4844003.059 17365751.64 10154161.71 11600632.84 4490821.118 2140884.582 5403879.215 15446315.4 11820621.59 13370550.9 Ailantinol B 3974962.134 2645349.583 3709971.919 3974962.134 3095876.32 3286559.185 4108936.827 1971921.573 2952349.537 3316679.283 3849722.082 2981589.494 5583011.497 4668059.637 5870167.65 4848224.203 2865957.12 2361535.626 3594704.835 4625545.15 4395520.73 2231407.154 5572489.528 4194865.942 Deoxy phytoprostane J1 228170002.6 22769834.38 32109511.03 228170002.6 251028211.5 202106015.5 33051176.6 41839443.98 18696010.93 191277866.8 98703380.64 155519878.2 38318110.78 30882768.77 26797810.2 157660189.9 235912244.2 248357559.3 7084966.389 8827391.016 12882729.36 104001068.6 192295659.4 283881246.1 Apigenin 7-O-glucoside 10144367.57 3757523.18 7010272.936 10144367.57 3761169.192 4664972.437 5407351.126 3816343.936 8072772.39 7907618.654 4998320.802 5327438.629 6363046.163 2116318.323 3588797.451 4668643.531 4851026.059 3741845.694 1084871.394 2107075.581 2325405.332 2891628.219 4401123.671 5158428.544 Dendronpholide P 169991.1632 4843324.564 4479854.142 169991.1632 522641.0625 179004.7816 2443086.056 3704999.58 2008034.796 240084.642 296613.8808 191974.0141 3005650.348 3512200.803 2691965.575 1403349.555 622654.5552 993455.6622 8875978.504 4805595.501 6644119.961 457424.1338 780528.7973 594840.5812 2-Isopropylmaleate 5571433.536 29849079.42 57550381.48 5571433.536 13002896.78 7400240.663 57085701.6 31000097.92 79521117.85 10922789.57 8344460.443 5798468.889 46015590.83 65824902.19 55439280.73 11578954.25 8360963.058 13662786.57 27391387.92 51187839.99 39982289.99 7373256.827 8881187.816 8523916.883 agrocinopine D 7300874.685 190445.7089 540083.527 7300874.685 4108904.607 6658123.107 1959183.968 23932.79327 962671.796 5866688.519 3269154.385 6737431.547 247527.34 1068564.378 2907292.298 6828620.612 7945939.232 7432273.809 356438.3426 1855571.475 496020.7959 8950926.029 11258994.21 9627879.505 10-Methoxyyagonin 21023512.77 2626727.648 4431283.927 21023512.77 5142751.406 3675135.552 3515941.641 2052494.661 6195994.962 6740788.995 10019899.87 15509724.3 2323201.616 2743270 11731592.36 6250259.048 12076329.79 10508019.19 3424109.262 7693180.197 5800638.552 5989187.772 6975657.497 7027731.367 (2S)-2,6,10,14-tetramethylpentadeca-1,18-diyl sulfate 17049124.4 6655124.425 8498157.849 17049124.4 14132919.93 10548749.68 9589111.254 3417413.171 9644182.159 13725755.41 12947007.32 12514947.32 2638486.339 5620455.381 5513861.783 11037459.49 7301823.919 8213438.837 8260082.551 6376256.259 11777333.43 13623782.46 14154498.33 13729296.53 4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate 1298788.059 405508.1425 542437.5601 1298788.059 880159.1659 978777.5119 478794.0471 442782.096 183774.538 749889.5179 1472084.201 806255.0923 160541.4884 385298.431 499738.7175 927632.4213 751757.2143 841771.971 172636.6261 422819.1225 401063.28 985575.5449 974334.9609 1107906.972 Paulownioside 845181.7642 15492237.12 13008630.45 845181.7642 1103119.617 1031329.212 12408304.72 12993033.82 18579877.08 1341451.905 1259481.221 1782949.298 8207470.851 15453595.45 12268877.09 1564190.179 2082932.909 1306322.405 27263140.03 53833659.25 22959328.97 2364590.088 3626020.727 2084972.91 1-heptadecanoyl-sn-glycero-3-phosphate 46880848.79 132882209.3 172136329 46880848.79 54982179.33 39926775.08 194917117.8 168954192.4 157819528.5 70676782.34 66985482.07 48658796.95 184248207.5 144803875.5 209556001.6 122063194.3 67392470.9 68968165.99 194289841.3 408361411.9 202747963 96345640.08 82324980.89 75808512 Sublanceoside H2 80620671.71 13275430.52 29952131.09 80620671.71 62599086.17 65455122.52 37049983.06 12310044.16 32775551.53 90360345.94 75068434.26 59430244.33 5086770.767 8969751.182 44295061.03 66090836.19 51653809.25 45609540.53 12441146.16 14118127.77 25196837.9 79664123.86 60510345.6 62729283.54 Diisopropyl sulfate 492470.7257 541910.7307 1052842.205 492470.7257 381478.2612 6324.176094 668267.4968 666165.3414 539091.2306 8847.650094 733842.9652 6921.212111 157092.998 773652.7718 359626.245 288548.3456 52606.65646 24369.82937 1704852.036 2124931.882 1714019.371 182944.307 286032.2108 14837.34173 Viscumneoside VI 75274740.77 10387788.95 7938486.197 75274740.77 51129696.76 30327961.45 10699870.71 4312979.168 18651383.78 29514652.37 43827364.06 43859643.44 7710207.751 7858439.466 16427441.25 37284545.62 50489675.36 35299624.45 7347597.495 9078242.65 8035542.468 26110017.99 28849581.73 29649553.1 N-glycoloyl-D-glucosamine 10201286.8 4911706.628 7674075.463 10201286.8 5971258.792 8939271.766 15514739.53 11273086.93 22385827.27 11964445.57 17247819.36 10808900.43 7625135.943 14340038.24 12506751.82 6351323.387 10811108.03 4337622.94 4116613.52 12651211.82 12293236.16 30600246.41 28369047.92 11102278.83 Tricin 7-glucuronide 978982.8085 114676331.4 58186808.99 978982.8085 1456083.741 1728211.987 87348654.02 18248801.92 50993786.39 1584417.981 1233381.873 1176397.743 5813273.459 19327058.09 32870472.2 466650.6424 119130.6823 1689834.34 27153830.6 28289670.67 34838287.31 4031123.797 2324500.514 2239487.749 Myrsinionoside D 10897278.71 618429.409 919703.5681 10897278.71 12897193.71 19165667.45 448908.3184 735301.0458 999293.8947 11119580.54 10222422.81 10949555.9 1474199.965 526015.6269 508623.927 13730147.92 12368544.01 13324464.69 1060149.415 1349679.211 233859.8734 11035669 11823346.57 12187641.13 Leu-Ala-Ser 14327936.8 18499572.22 8457903.009 14327936.8 17831203.29 14269781.76 7730363.984 4729898.362 15909137.3 18576403.01 16252476.49 12604903.39 7539812.275 7599590.045 5683368.084 9256449.407 8879510.24 8536908.546 6592283.865 5335174.983 8819634.843 10659840.56 12164711.98 11248410.68 Kabiramide K 6711690.892 194942891.4 163680506.2 6711690.892 8015802.697 7994467.61 215194031.2 147569113.2 148750136.4 7596641.759 8450101.503 6577432.581 196973020.5 138843809 180503435.3 11903801.37 6565496.431 8515852.912 196776283.1 126222772.9 206830138.9 12829256.45 6758263.275 8754601.735 Phlomiol 2517178.114 127746253 201908815.3 2517178.114 180337.123 577028.0587 118668433.3 117640557.4 249858869.9 414456.9906 260108.2839 2316585.916 63832941.05 129390903 136631058.1 352694.162 772375.4027 314793.1338 320580467.3 843600386.4 507175432.1 6360118.401 14135897.97 572125.4394 Yiamoloside B 985738.1425 93494977.51 12579340.54 985738.1425 217276.6616 217913.0995 53845387.61 51818187.91 177170259 1362736.668 134249.5915 968912.738 185232266.6 56400040.09 8537833.874 462766.1933 1017160.268 994002.024 70612780.92 189946069.3 289769376.7 541644.2487 1479813.542 1753694.292 Alstonoxine B 1661593.658 818908.4189 828432.3203 1661593.658 818585.5488 1643039 1006564.169 862960.5626 806275.4974 1621383.196 1174284.2 2506242.701 672490.514 897766.6505 719598.7359 1126964.503 573949.9501 892706.0489 1149030.677 1083295.315 464728.8932 1138842.993 839915.2659 1531148.92 trans-2-Octenal 7725727.491 120207.7384 533466.4542 7725727.491 10420584.93 9430552.27 144802.3623 1188909.344 252145.1592 7841982.136 8439188.242 6714106.002 166938.8893 753852.0162 263164.5067 11501616.5 9468582.174 7713030.714 85157.43889 302226.8823 136028.4183 7538925.636 5633302.44 9665905.733 Geranyl acetate 109350505.8 3298341.57 7529043.145 109350505.8 90956056.04 121668510.9 4697470.971 8193944.392 1283755.812 89140626.53 119085665.7 64066605.38 3255312.373 4034473.883 3747205.248 57825512.17 53458136.65 62647379.02 466028.8565 1631509.598 1545991.8 40925751.12 38191486.95 54393293.83 Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate 169108055.9 19055857.01 52368312.62 169108055.9 624132099.5 355161655.2 61834897.91 8052735.546 10982422 591405439.9 400795315.7 259702151.7 3104155.731 5627864.416 5025962.509 473661842.9 616763720 838313919.7 5311740.71 7088295.507 42407890.79 485784184.4 319830209.6 181334472.1 L-glycero-D-manno-Heptose 229447918.4 447349934.4 444288083.4 229447918.4 93895619.39 105113609.4 517723146 463161624.6 703221019.8 120249180.1 284882473 161705909.5 556460633 697553417.1 616698172.5 102588301 164989721.4 133559512.4 478346742.8 602258476.6 596511314.2 138866811.7 121267064.2 110824286.3 (+/-)-6-Hydroxy-3-oxo-alpha-ionol 14253852.33 6469956.471 7681896.075 14253852.33 8871971.816 9258043.301 8771420.114 20746298.02 8631012.408 6356826.596 6687121.261 7472012.075 10641861.74 7040964.008 9755251.247 8427805.157 11625596.58 8470956.69 5699224.909 7192131.534 6950236.669 4734461.082 5957607.746 6709508.725 Pentadecanal 9922940.793 4849546.932 7303127.525 9922940.793 6029547.088 8817285.282 6161561.956 6289907.147 5851309.812 8555982.33 9082086.247 15805891.22 5749894.601 6509072.219 5827893.036 7864693.858 8221073.268 8956642.991 6808997.043 7840583.845 3125116.381 8336089.364 7417512.916 11036824.36 7-Mercaptoheptanoylthreonine 26613287.24 244483946.2 163450013.1 26613287.24 20389165.06 22949940.18 150326173.2 181803744.5 189949249.8 21402777.39 11084981.27 27875898.55 221579879.4 222037327.8 150064951.3 29765188.72 35271133.08 29657722.95 411406835.1 274235406.3 300295587 39837321.94 95084841 32058199.35 gamma-Linolenic acid 8079663.923 6928249.815 6545359.547 8079663.923 3821938.15 2413723.407 3506001.053 7470284.639 7818169.361 4491081.01 2705130.366 2586429.33 5485706.961 8701612.546 7759378.169 4655023.283 4087929.326 2755282.993 4401980.494 4955590.243 5145646.466 2849687.1 5222061.542 2486923.808 Phe Glu 16305245.29 50136343.89 37996873.71 16305245.29 19369295.71 20601427.47 47665969.04 32595978.09 56932965.81 21817446.87 21940075.54 15824545.08 33988138.79 46791728.34 36812192.29 14545457.39 9820378.13 12304659.05 34002942.03 32385211.06 32264105.55 16315238.53 21928502.85 16217932.62 (-)-Sparticarpin 136428.3377 183968.2147 102381.3171 136428.3377 695905.0697 753305.0915 811958.4765 269498.0977 69151.04519 192867.8787 276432.2959 522570.6953 421308.3387 170557.4264 42073.87189 145972.1306 315903.686 381491.9399 381196.6563 116859.3479 123916.499 266514.6335 497555.2144 389266.3281 Scillabiose 2598062.455 3880866.125 3061836.597 2598062.455 845335.7524 1795722.71 3351384.319 5689798.191 20720048.52 908091.5475 1738148.82 15827067.49 2505854.042 6569454.187 4725809.314 471444.8755 965640.1087 1168037.952 8624624.439 9158003.063 16039170.01 3027640.858 1434038.758 2284413.271 Guanosine-3',5'-cyclic monophosphate 49189288.15 21618552.84 21382303.36 49189288.15 67752920.17 36978292.92 30451178.54 15981773.07 19453290.56 45038024.42 109989618 64556358.03 23490384.7 26156880.77 39738947.41 33533821.23 35407016.14 61614096.45 23704883.16 25022939.74 34495627.99 54145870.63 76063810.31 57075960.5 Clidinium 6668531.188 3799217.984 3389504.99 6668531.188 5947834.825 6086541.461 3006093.155 3394665.77 2925904.059 5904674.978 7155852.947 4581767.751 2920571.277 5814427.508 5166780.267 7059611.224 5246293.415 5706047.483 2879289.778 3227493.555 3595236.35 6641325.125 8005277.721 6066824.042 N(6)-methyl-AMP 937741.0082 2456512.291 4755901.696 937741.0082 613701.874 644765.7231 5807348.151 4420399.609 3251250.138 899241.6822 2329470.387 899857.9145 2468095.193 4820988.303 6137462.693 754834.8673 548192.8053 906352.4141 4633199.1 11521898.54 7265138.571 1572768.789 1986063.668 1369159.218 6-Keto-prostaglandin F1alpha 28064304.33 34029029.75 15964883.28 28064304.33 15254339.56 40804958.15 38886077.93 16795780.02 44131058.74 26465555.48 22701274.5 14063288.55 24930151.99 21437795.14 12823915.33 24844561.66 26429477.09 10758734.4 14342296.22 14187528.18 11617806.43 18515192.71 16220365.54 9642662.798 Citroside B 771423.7835 18155183.49 13618482.63 771423.7835 128240.7352 1076171.799 11142561.26 16054609.09 24346935.83 135436.0296 210701.8619 128357.4441 21735010.17 21921035.13 13692507.56 406038.9962 102098.6972 143266.7073 19099819.48 13459725.98 18477721.08 271067.1966 4147923.725 324640.2755 Herdmanine C 61357411.73 951337246.3 1511565293 61357411.73 106437425.1 46828991.01 1141841815 1056918753 1071371646 64561021.43 65869232.66 54527028.13 1041069884 2004382458 1630407518 46845288.03 61155303.8 60941277.7 787746940.3 1185537934 943074054.4 117798410.3 70148490.24 57531741.96 Distigmine 18015586.94 1485885.431 1581499.395 18015586.94 18074087.4 24073167.51 2475317.924 1942758.22 1524459.663 23451740.42 30346483.88 19929550.89 1533946.404 1475330.944 2073581.172 18921488.74 21572469.65 20183219.42 757697.3397 3181342.477 191972.3773 16536560.76 19667025.51 28402860.63 10-Hydroxymorroniside 120622505.7 126014703 170454764.7 120622505.7 88261181.51 85369877.21 79291995.11 127441650.1 152532312.5 103123429.8 145506500.7 198154616.1 59303992.86 109792711 91586466.67 77365400.67 103456506.6 58996879.4 109940312.6 118149744.4 80704434.92 120425152.3 101501480.8 82427890.57 Oleoylglycerone phosphate 295153405.8 396773452.3 154666272.7 295153405.8 499759936 563668772.3 582665982 129207791.3 465266654.4 506298564.9 305060082.7 429226310.2 235354194.5 181820694.7 359154165 935116478.1 317129783.8 514815128.6 280181235.3 373259251.8 236245227.7 569819284.3 750405495.1 754478125.7 gamma-CEHC glucuronide 10494804.62 2650965.436 3631284.558 10494804.62 11181484.67 11634509.72 2987165.78 6261137.411 2479493.058 5911108.948 14572366.13 10973844.56 5371099.95 2674552.015 4249937.837 8202823.851 8904972.925 9929062.028 1191030.843 3656386.582 1764597.999 8141868.582 9715071.81 7940757.134 Atractyloside B 799474.5949 55541924.47 35807276.76 799474.5949 853953.8307 1010162.52 42811033.29 49039960.98 30216997.59 1300513.801 226160.6558 772764.8875 66347161.4 42028485.35 24391952.48 1678744.859 201903.2473 198470.6219 123488158 63114547.09 117166889 1305175.277 157868.4015 136124.4315 5,10-Methenyltetrahydrofolate 76733679.32 882856824.3 992090139.6 76733679.32 76211333.99 26376061.52 1011541604 782598958 1008448634 47547139.87 39032376.05 46145339.49 1043212313 1454815109 1521254204 30627724.93 53027173.59 48694797.8 1198914519 1652140487 1143633101 89110962.17 57553019.63 69641776.64 Pectolinarigenin 7-rhamnoside 116760401.9 1916032.38 5342948.652 116760401.9 57266178.4 33928097.71 4558446.85 2609127.609 9134624.844 59941386.63 54132256.6 36731912.23 1192278.091 4456784.891 17945112.89 97495807.54 51465950.92 68010472.34 3709309.616 11459991.35 7028628.457 57709214.57 58983354.23 41102693.85 Kelampayoside A 43145979.56 79435497.95 85725418.6 43145979.56 35462380.77 26386310.35 59389610.94 45447126.1 83750838.58 30109745.58 38851621.86 37928329.49 57410008.57 82146180.22 78646262.85 49985103.41 52995121.98 40747791.74 132347844.1 161713397.7 126146010.8 50795732.72 43718917.31 56624967.92 Kanokoside B 4104485.365 287038106.8 236150626.9 4104485.365 4761282.227 3077682.649 82806077.95 176138438.9 114829363.1 3837059.065 4052839.587 4929114.33 185316843.3 108002590 120893143 4477823.163 3809938.558 4100335.886 118666120.6 120667743.1 136270948.5 3982459.629 3849738.514 4744522.511 Asp-Phe-Val-Val 1148152.529 93291898.68 70191096.14 1148152.529 1006321.992 1278217.825 124771941.2 125859351.9 186685754.5 1557426.473 1337585.803 1054062.899 124875215.9 141278856.9 112468679.5 1902813.157 1086172.561 957352.7381 298638401.3 393403078.9 331822678.6 115878.9355 1578042.054 1832710.197 N-Acetyl-O-demethylpuromycin 78683873.82 31078750.1 18276842.95 78683873.82 100126580.5 49493180.72 14952490.87 11433255.07 8588741.099 33990576.96 154450464.2 35231198.33 26592404.61 21499325.11 21917986.45 44877059.81 48301192.45 18228483.41 21993769.4 9877827.57 13938686.48 80945661.25 74024498.1 72414503.2 Nocardicin B 197116350.8 2398140786 2743734292 197116350.8 176304159.4 58321529.28 2724499786 2169363746 2716406241 111202584.4 92077801.13 122284489.9 2884235583 4012450523 4106980646 71844424.06 128268652.1 118373412.8 3194158049 4435358980 3106642562 218656850 136221766 175333771.6 Cryptocaryol E 51240898.87 13196396.63 20780491.13 51240898.87 60958972.27 60023349.55 16388730.14 17468205.6 11778372.11 51707818.05 75711830.34 45355978.15 6339111.928 23221607.49 11999662.03 52878481.19 43459765.18 48484469.37 6189473.865 12523999.6 9722092.531 58203769.05 42312060.35 50596939.44 Scoparin 6''-acetate 2954899.11 261049408.8 155724887 2954899.11 3371638.636 949600.2017 234663508.5 114833433.2 264305880.3 11119045.96 1940084.934 1539315.695 157233314 125733447.8 154453321.7 16334366.59 1696291.125 1934818.042 213538389 195554298.4 197433337.9 98455417.34 2026598.799 3322936.396 Melampodinin 121818057.4 11910096.24 40973823.56 121818057.4 72368490.2 84110073.43 28664997.36 22495610.16 78846037.34 64634868.7 79750878.16 79095226.98 13513715.37 30015035.69 33739135.66 71890445.11 162306903.5 84301595.4 16756711.88 36367135.32 32139349.09 84384151.57 72274805.69 82390786.69 Deoxyloganic acid tetraacetate 10985301.95 91104665.53 99437871.29 10985301.95 14701638.71 14128004.2 45537294.13 110733333.3 85868328.57 10382615.09 29365921.18 13151896.21 56095083.39 56974894.95 32816836.91 7564816.629 12007129.14 7481424.183 116094638.3 97551912.88 113038831.6 30304075.15 26502455.31 23011049.63 hydrangenol 4'-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside 1150050513 499958.1696 4480713.409 1150050513 966403962.9 666263756 17205252.87 7337862.835 17478996.9 784715441 977560083.9 1002118758 343025.6606 436629.6274 8021380.54 882991772.6 929127127.2 635264189.7 700568.1999 9675089.026 2161565.837 898417689.9 819385887.5 763336965.5 Palargonidin 3-(6''-malonylsophoroside) 14571852.49 1910775644 1250766525 14571852.49 3328174.669 1230507.583 857434173.3 1107668526 821766176.2 21401357.45 14117803.49 3688379.449 2152345773 1032659311 1330959506 18728749.21 3137963.635 7018626.137 545402286.4 678064223.6 712231231 47681462.13 97079177.2 11893004.44 Pouoside F 31914182.2 577927186.9 258018868.9 31914182.2 26629950.42 28962447.51 454785093.4 498191328.5 530582548.2 28635212.07 16350000.06 20831652.23 383167601.4 429636086.9 285645668.6 27725945.66 25495182.3 20898604.94 451802521.4 477428861.4 309414230 25032788.96 21427867.97 28641597.74 Peonidin 3-(6'-malonylglucoside)-5-glucoside 1068962.401 239887679.6 445190478.7 1068962.401 37405300.7 6915232.562 651685608.5 495283935.3 240410164.5 67982377.36 8819085.023 5993899.521 283824510.7 708474081.6 452920593.3 16305384.5 30058394.9 25758621.35 266868249.2 234342517.1 467396987.8 71788328.14 40348654.6 40607826.77 cumingianoside D 1034297.921 877482739.5 844045005.9 1034297.921 331706.9092 1361300.395 1268708727 609257937.3 804454240.3 3262306.151 1000157.191 1058881.697 955542968.9 784909229.6 940420810.6 2198463.033 1125766.852 861767.7891 1255244178 700129380 977293599.6 2532543.628 128577.5961 1236523.778 Digoxin 39898386.22 584461505.9 587257117.3 39898386.22 69757133.6 71419472.69 1040196442 766995350.9 1039410636 61085913.79 106273401.1 23951493.01 518298024.7 856411115.7 878001747.3 53563195.27 20492203.47 32752643.08 854547012.9 585326694.7 872293904.8 65894413.22 25627060.55 65734662.53 Monodemalonylmonardaein 27787983.79 1740192209 1323854978 27787983.79 2774232.655 875013.1426 1221968358 1292959187 1440188268 27628272.97 7811879.965 644973.4843 1464523742 1187395596 1055728252 35640856.78 4460807.902 2102931.979 1160677683 861058788.7 1021757903 17431744.86 19438544.57 2587465.856 Malonylshisonin 7702949.124 1079584499 642853600.5 7702949.124 1309767.191 510268.9674 667893403.5 716463603.1 876725560 7794447.564 774651.3661 344051.0674 881673095.1 743418848.1 908019592 14821791.57 2184776.43 1089191.364 644755799.2 521720024.7 602535649.2 7364341.579 2742489.873 2030657.977 Ophiopogonin D 962936.5724 44300476.04 36628400.49 962936.5724 1334481.133 1507344.92 45492675.08 33700043.02 46832561.33 2065524.278 959341.9033 1127915.787 30128723.8 39162530.2 55810465.28 400786.194 139808.7739 938329.5111 26783991.33 26749961.42 25755826.41 5950660.479 615904.3587 1265879.665 gordonoside K 303009.4995 20390954.45 26966065.88 303009.4995 1412834.963 5248374.389 44294273.09 18840366.95 59167379.42 1656306.783 1234078.231 1352695.182 7716692.806 18548448.06 39372521.01 521086.429 1379039.795 1955551.958 15892868.71 18979476.82 18370542.02 2421375.674 178510.7789 2972230.847 Madecassoside 182955508.3 184721.2864 729408.9651 182955508.3 232449230.5 209912259.7 3305371.373 2484018.574 227949.5385 287258279.9 207298849.2 189643704.6 196266.9351 281984.5528 3262638.807 352802034.1 239021384.6 210686512.6 1978361.127 233028.6968 229875.7521 219131018.5 162720780.5 177452793.3 Phe-Trp-Ala 4740397.414 2696771.08 3187081.393 4740397.414 4368537.674 10235082.47 3588193.036 3426899.138 2296915.809 5068527.825 9111505.503 6949780.717 3614722.014 1169963.17 1397205.439 6912355.209 2237455.812 3935403.469 3385448.78 2248508.442 2377521.578 1739085.643 7310052.605 5490206.91 Juvenile hormone II 2806553.561 3534420.543 3106381.637 2806553.561 1923428.953 1626060.264 6904266.711 11748015.39 8952646.411 2058063.061 1300041.688 3346866.661 5763268.977 4291757.525 7761873.261 1997617.008 2044850.865 2563533.734 4536557.917 9439317.863 3303420.578 1046639.846 958897.4464 1779404.617 ponciretin 205601516.9 15752361.74 13189120.08 205601516.9 236305542.2 115174998.4 862337.1071 8916680.842 501992.1845 159944605.7 202776730.8 267411944.5 11274631.98 9161317.916 14518542.28 167660215 172443955.7 104889090 9769064.226 286839.4868 13457918.45 169362529.8 163488994.5 149353853.7 cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene 3632683.269 329181.569 1971854.923 3632683.269 190229.508 739988.4874 1840558.216 1667530.514 2776496.461 1619914.255 4520090.203 887420.5706 3432172.5 977340.9062 1944750.749 1831023.388 3323027.055 988670.5284 1622434.79 1549286.264 1031150.518 890333.8164 1173903.127 794007.2159 3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone 17074668.49 4845302.735 6850016.66 17074668.49 7563945.795 7656708.06 2708242.029 4903331.021 3706631.457 8938588.445 12526703.08 9788315.967 2874536.459 3090287.93 6402462.639 8894803.862 7758372.219 6193698.928 927135.9714 3020819.673 6401978.853 6305327.031 9156234.451 10411027.22 Lyconoside III 46674372.92 12698080.11 6796207.079 46674372.92 34873650.92 53412543.18 10505201.18 4603860.125 6594675.671 44169831.22 49040512.12 38887631.23 7948913.011 7524515.283 11944670.29 64610857.34 31876907.74 38707546.02 8413752.31 8537938.163 7471438.085 50753945.93 63320038.63 44903384.18 TERNSTROSIDE C 3709838.84 2999495.356 5719838.542 3709838.84 912023.6063 1321996.294 2036292.457 3814183.227 1648226.761 1041024.319 3005034.3 747474.4813 2869801.381 4172567.785 6411772.293 2291275.841 2729935.827 1308227.518 625604.213 2261581.185 2529615.759 693379.3947 1957213.686 1464821.803 11-deoxy-11-methylene-PGD2 4658245.348 226826.7885 35889.39751 4658245.348 7122733.374 10617172.96 27148.02954 113575.7911 110229.356 13230089.92 7228925.067 6283352.689 55864.78174 25962.05125 826157.2615 7433351.67 1968103.975 6658193.389 129516.4372 48312.33364 66067.42287 4356307.502 2860374.012 3070303.135 N-Acetylnorloline 1023934.773 1265833.655 1192747.715 1023934.773 486661.292 750158.933 1195378.189 1250655.591 1333672.594 536545.9394 608893.3232 713183.2859 1327831.436 1551199.133 1109372.124 862672.7707 910852.4039 893656.4994 594915.4114 570901.6209 1153636.539 1131493.199 1165661.156 654539.3453 S-HNE 2485613.175 41231863.75 36265300.13 2485613.175 573542.5077 1048593.755 26330480.86 30497018.83 25478701.76 1069908.234 2538220.217 886049.1446 42426979.89 24871048.07 42879836.34 949974.5751 1339511.56 636915.2133 23660556.94 29858542.24 33561987.68 870127.2643 2490575.634 1183780.182 Secologanin dimethyl acetal 19025859.36 34962537.34 36543988.8 19025859.36 17361696.74 14204966.9 24870288.87 17739167.77 41311378.75 14765188.96 19417548.31 16875381.57 25968343.32 37890969.61 33407916 24410965.01 26795690.58 19591771.9 57276015.38 72896845.52 60802898.49 23899488.52 22068100.55 26942179.3 Uridine 2'-phosphate 14943613.35 22119629.73 22900697.13 14943613.35 11447339.7 16695192.97 21986551.07 17413324.77 26910780.18 19004255.74 33048870.29 16284143.72 11205007.86 18798823.99 17870473.01 14479019.51 11102436.99 9168506.915 33731125.48 17238722.97 22330566.44 14249586.65 24032704.35 25006682.52 Leiocarpaquinone 15836350.61 2131192.7 2144024.53 15836350.61 3276010.092 7285556.888 105290.0631 117945.7907 1536564.801 3784607.208 6215430.569 6895577.969 1841602.975 1090696.787 50172.58313 3806746.616 6522861.286 8253914.148 1629097.49 1769606.539 1682317.177 2831982.622 7866195.335 3383570.31 Capsiate 325698090.1 38001708 57047838.96 325698090.1 437326501.1 382991746.5 47358616.59 126357630.7 23958531.26 229630672.3 76329491.8 273794241.4 55267687.95 56796563.33 42576142.45 223663280.2 442932787.7 333764419.1 49559700.34 20328200.88 21148127.13 167981426 154460960.3 222185702.2 Leptosidin 6-xylosyl-(1->4)-arabinoside 9207370.611 29287071.92 47355594.91 9207370.611 3472561.493 2593143.581 54616913.75 14123826.98 35807949.22 3229373.607 3353631.567 4527427.197 18273911.03 26744255.47 47416895.46 4531476.695 5071436.938 4233246.675 17227940.77 35388060.3 26445819.06 4790807.431 4053072.119 1623713.765 5-Hydroxypseudobaptigenin 65004860.64 1168285.969 2126598.175 65004860.64 8192999.979 7776861.576 1802000.404 1917211.123 2652404.189 9991490.889 15257472.87 40928276.46 89435.03159 1362879.161 2564197.337 5197393.127 24185332.79 28242902.11 467426.8872 2759252.575 1749841.437 6378377.569 11935707.4 8185051.259 Arborside B 17960571.57 5691496.039 6546622.749 17960571.57 13181077.18 13603461 5734217.995 9641564.48 15408087.9 20191777.15 27698445.97 13706077.36 5049630.005 11549663.89 9403488.92 14874979.04 27137599.16 13728584.57 3730367.115 8237692.711 5936993.538 44230664.24 12856812.52 21840843.4 Methylnissolin 3-O-glucoside 18527837.97 3353288.972 6675299.865 18527837.97 12108483.17 7408263.303 6179364.797 1918447.706 6823104.267 9307616.553 11673263.24 14490953.26 3622352.326 5888604.531 15135793.87 10009302.61 14056428.43 10620515.78 4163689.828 7653064.043 5757760.018 10103453.74 13806041.85 12077594.54 Trichocarane C 5469014.911 6060988.649 11997845.11 5469014.911 4657367.9 8024113.838 5712722.179 8757567.453 4914270.572 8096547.282 7421480.972 11731979.61 10684162.99 15900430.76 6804852.585 8064774.654 4872230.667 4697057.816 7045228.206 7465008.394 3329094.222 3338937.801 4298799.473 6855831.979 Eleganoside C 2578410.347 17373690.36 21823227.92 2578410.347 2286500.865 2752419.656 11327580.66 19634112.65 25521026.9 3024610.553 4420726.289 7373337.519 14045514.12 26734579.65 11286241.33 2846893.7 4456255.9 2423991.568 27245352.44 24447497.39 21661322.41 3452270.336 4369138.754 2485190.624 Tuboanoside B 16405381.91 8791761.385 10864347.6 16405381.91 23785649.14 15592473.11 7326291.538 10807589.41 5340351.088 39700292.52 27215514.94 16564826.06 5359878.307 4292470.215 5560647.457 25909165.96 15992349.17 22180028.75 4506607.806 12859834.39 8104767.873 12890212.46 10915159.97 31534019.72 Ardisiacrispin A 6461342.389 217532.0113 1027056.571 6461342.389 7738303.15 6665116.508 623567.8553 81310.82022 634392.1645 6198319.614 10279318.69 7157863.905 204451.7508 264471.5731 846856.6279 6492233.307 4475703.187 4466207.476 271040.398 1043900.404 571188.1479 8339410.171 2505171.455 10495595.01 Virginiamycin M1 120413346.7 76414336 84324585.69 120413346.7 108630284.4 63772298.79 69335377.23 35264642.69 37149408.26 52236300.54 114355256.9 79935441.11 19295731.3 26044168.27 44249948.54 66271318.77 142553818.7 72046773.94 21626332.54 22833261.52 67361050.92 87099947.95 33244297.29 95443760.35 Zingiberen Newsaponin 581619.157 10987213.05 14090380.21 581619.157 361796.7636 350385.1726 14410823.22 6283607.873 12491484.81 669430.1615 1063489.419 777721.2073 9378588.102 11752567.93 15330775.55 602782.0348 477270.5494 405033.2588 7037491.853 3476887.431 7967563.192 4027923.086 1020399.072 1057162.295 Protogracillin 1330064.33 755215.1773 1520365.164 1330064.33 371335.4779 428366.6757 2884930.046 2434401.413 3191233.884 908694.8428 708124.2927 400227.7554 2631443.413 4125804.455 4219525.165 1497634.609 359065.7741 503606.4764 196350.3478 2384270.057 268436.8862 950398.9048 517198.8347 3506428.932 Rehmannioside C 1976200.586 52992455.83 48790990.8 1976200.586 848163.3385 1109485.561 26183609.94 35708595.83 51332065.01 1334053.471 902384.7218 144986.0578 19004182.49 40851979.79 37895528.45 153257.8405 405497.7763 468681.6327 85255408.68 89079864.42 78671478.49 216288.374 443971.8971 382794.1857 Picfeltarraenin IB 4468125.2 16957215.23 13473465.94 4468125.2 5132118.547 3331543.014 17146916.51 10149506.75 14330052.38 4113099.237 4400816.128 5414629.64 21262765.06 12518458.9 11442650.79 4775610.789 4161670.556 4361568.291 25450161.83 8572364.118 22893969.9 4247766.735 4044429.85 5027674.578 Tenuifoliside A 14824171.62 14823977.89 19432970.12 14824171.62 10086976.63 13740560.7 14896530.44 16028146.66 17422958.26 11098645.03 15579054.96 5619774.673 14653165.52 23516734.55 18272305.41 14530519.3 6475282.408 8474786.002 21489842.92 10304984.47 18310392.17 18785470.21 8728409.966 8923433.512 Lanatoside C 3223554.677 6267538.274 5540420.78 3223554.677 7274324.249 6402984.423 4369947.124 3622710.637 4164117.984 6836767.658 4218277.515 5833275.751 4868424.405 3690649.037 3558452.491 8649509.707 3647997.111 6773941.789 5036530.589 4013547.74 5784906.571 7593614.758 4275612.161 6744654.454 Zerumbone 10550106.2 1848750.222 347363.4539 10550106.2 12602374.14 11499401.12 766176.4283 286015.2799 178703.7193 11612659.05 4780324.732 12462618.78 1497175.06 44629.2586 377232.2018 10025805.41 14054994.59 5697651.95 1135395.535 1540874.093 140255.8586 7488701.929 6838399.591 13275018.87 Methyl 3-O-methylgallate 4966178.648 5324045.887 5073479.672 4966178.648 3403194.946 3046412.069 4325528.976 3890256.831 4135066.09 2269419.934 6792004.067 3145210.731 4351784.479 5631716.502 4400822.326 3874825.443 3381658.62 2298756.096 5508931.677 5047542.758 4193907.276 2542223.53 4976175.45 4089804.418 Lobetyolinin 3975101.108 3828287.3 7570384 3975101.108 1230793.294 923505.817 17171792.26 11541383.1 3805755.827 179857.9755 7094617.789 2302861.947 11727465.41 19508278.52 6018571.562 788344.7308 1382308.965 1032452.221 9828131.681 8306258.332 9731917.952 2114623.155 1132141.392 1168938.93 Parishin E 3728823.133 395511.5812 325109.5713 3728823.133 4061492.13 3181441.205 1138529.914 1303877.751 1263605.713 4934011.777 8815962.685 4689831.727 1430985.44 491282.8169 968276.5182 5996880.338 5405609.912 6147070.802 739686.8514 645498.6353 724652.8036 4476121.669 7112623.39 8223601.623 Loganic acid 3221545.996 4475694.893 5926124.733 3221545.996 1936185.383 2570483.181 4408632.094 5864419.513 4634373.223 3656550.252 3007268.378 3529814.802 6664079.853 9418198.531 6729555.665 2581041.671 3600539.077 3394677.292 4160933.937 4920659.283 4597902.974 2936364.279 2931953.625 3263253.484 Shanzhiside methyl ester 4247639.067 1901451.404 2384745.599 4247639.067 3085525.942 4062089.686 3982784.028 1965032.977 1908086.888 5041551.699 6583397.674 2688997.294 2497726.579 1955380.025 1790356.504 4051137.995 4681526.933 6394546.007 1332536.447 1673240.639 1945904.771 5215559.145 4005220.608 5013366.342 Barlerin 120196.5863 3744553.737 2711092.471 120196.5863 102580.1393 104016.5411 1462843.448 1771755.891 4998517.34 1121131.347 1311970.533 678622.7168 3807020.281 2246063.985 2292969.577 1241301.313 93474.06086 89302.18849 7534983.038 9613244.001 5914244.664 126122.0417 90896.21592 149971.9321 Cauloside C 700123.9751 24530183.84 37779371.55 700123.9751 2870643.092 3880974.064 24217412.32 31645595.27 43858622.4 2448665.688 2620784.082 887431.9503 100880074.2 50735590.31 21541231.48 2928003.248 1145703.356 1558035.655 66941992.62 82392118.72 54661417.32 2677040.772 4418995.829 1597052.144 Shanziside 2730241.298 913637.8345 1204108.77 2730241.298 841924.2958 1241111.942 1923353.611 1573510.494 1750688.655 1334812.144 1633675.83 1547906.566 1516505.556 2324962.655 1986585.357 521616.0158 1697725.739 2349411.791 1967611.524 2726181.004 1942511.159 1717214.75 991155.535 826961.8758 Prim-O-glucosylcimifugin 1034229209 232117247.4 184291588.6 1034229209 159545899.7 73090848.55 113544800.9 280123940.5 96295159.87 120011742.3 539823239.9 236883572.7 380761560.1 523730942.2 197821986.5 523308679.9 799223275.4 1347498642 173139565.9 285789067.7 370771813.3 342405892.9 244548451.5 265268842 Gypenoside XLIX 139783.5259 16512318.95 26933668.17 139783.5259 933513.007 1285670.438 13611292.11 31570413.74 17294837.97 1538839.986 1345601.175 1010139.906 39717682.4 25953347.12 19467170.88 1917640.029 135499.2223 154804.0193 24284199.72 39127238.38 25236689.53 246579.6943 1629271.336 1864044.453 Betulinaldehyde 1319106.465 3085052.498 236745.7319 1319106.465 3372763.165 5574709.126 1711875.257 1942549.727 1706130.371 5170738.077 5295610.781 4941564.071 3651830.634 1577178.153 1453455.911 4680376.704 7364588.315 6951479.382 2640125.291 51778.74855 2235394.821 6195697.348 6781301.283 18089584.18 Epsilon-(gamma-glutamyl)-lysine 5116118.278 9295526.479 5273577.889 5116118.278 2332205.651 2178978.436 3910980.362 2317662.681 7225728.569 2596432.746 3530366.409 2277210.508 3734377.68 5143920.855 3420720.096 3363436.101 2052509.887 2733432.258 6111393.128 4139112.713 5316631.008 3505499.619 3703092.12 2387979.502 2-Naphthoxyacetic acid 6264762.544 708760.9043 1198673.026 6264762.544 3490397.468 3263516.454 407203.3828 671195.8757 1010827.799 3902791.276 6667871.79 4073086.424 267249.3516 964464.9995 2271176.369 4318726.073 4826377.955 2826714.112 362227.9716 391200.1798 320284.647 2861739.227 5878570.545 3494523.547 Clerodendrin 4468125.2 13661586.08 10497324.42 4468125.2 5132118.547 3331543.014 3330356.108 8739240.599 10395987.71 4113099.237 4400816.128 5414629.64 3639355.97 5058097.094 4604795.55 4775610.789 4161670.556 4361568.291 7691883.934 9361747.474 11159907.32 4247766.735 4044429.85 5027674.578 Glycyl-L-tyrosine 504513.9582 2566346.482 2212295.838 504513.9582 1075601.002 1142011.329 1370210.99 1785062.359 2240505.034 945897.1055 1337727.693 980803.7235 1525402.411 1790441.659 1090560.16 779821.0184 783611.2308 392123.1254 2466936.505 1896629.59 1538682.33 863276.5032 1124163.129 1056057.374 Tricosanoic acid 2621150.667 8007187.7 85602840.99 2621150.667 2929662.349 5153178.27 3848851.948 7834633.147 122998.9348 3183458.577 2079202.296 3905603.425 15613856.14 7112397.626 82613691.62 4142754.586 3121877.713 2986591.205 7262191.541 4212437.443 85844660.51 2321611.684 2447249.82 4404176.175 2-Thiocytidine 724632.1971 923506.4701 725906.0955 724632.1971 658310.6772 833956.0801 1000370.424 601069.6135 1132048.154 681703.0898 630855.3062 438887.4308 1444329.357 690373.0469 678472.9301 109419.6017 715865.5212 450220.8628 472580.4876 416223.7548 514187.4623 920261.1466 1238329.673 800285.9486 3-Indoleglyoxylic Acid 634329.791 525649.7229 802125.7276 634329.791 609286.2107 1038725.254 835683.2213 839495.9108 987423.7138 921499.7708 1012260.496 527746.0535 843584.8381 1003211.232 828681.5562 1002457.137 883479.108 848755.4219 680307.1937 687657.2599 838193.0664 499708.2367 577172.279 748688.7202 3-Indoleacetonitrile 14091.03279 8007535.94 7511169.855 14091.03279 7202.702235 12300.85046 4963196.724 9850467.505 4905646.539 1310839.751 1339075.48 760930.5652 6722804.298 6436889.748 8142599.803 1601677.143 44259.05474 961767.1653 3688190.421 6892561.2 7196402.476 173872.1206 1343395.694 1665708.891 5-Hydroxytryptophol 953186.4507 773843.1045 594923.9069 953186.4507 561599.6109 586531.8948 429538.6312 623906.0551 846774.395 671708.2991 699324.0074 511288.1453 518452.0714 232987.1572 759080.6692 841862.1539 565696.4976 458842.8652 391045.9984 588193.757 774052.9652 625315.8219 596744.8149 434900.1886 Palmitoleic acid 17866704.62 5768362.64 8302566.067 17866704.62 23326394.76 28442180.23 5380787.392 6483865.547 3440728.458 25633047.62 26387771.55 18441443.1 6432041.023 3258808.032 6971523.614 22339964.95 17552352.27 15940861.88 9449576.066 8016978.798 2452930.381 16289058.12 24982295.12 26882013.18 Arbutin 36817541.24 9634938.25 11595151.13 36817541.24 15401018.78 17976876.94 10148000.36 14457526.06 18766970.57 16426365.31 35653882.61 16840358.45 12145102.94 16736534.15 11183592.21 23205579.52 17706897.7 12105267.97 7831670.433 12376058.09 9100751.693 16393739.89 27047696.09 20498175.53 beta-D-Xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-D-fucose 4362140.455 11701835.34 9772807.583 4362140.455 7316460.092 5121595.298 11850483.38 13200461.14 14391384.82 6703092.538 13662388.05 4980352.346 12073898.41 15006714.33 10178803.76 5551785.566 4993731.781 4990764.358 19016420.28 13366921.96 14059722.15 7453533.266 6514938.175 5445470.047 PA(a-17:0/TXB2) 4230509.261 5631724.586 6685471.791 4230509.261 5891282.524 3832327.979 14971574.35 4600616.917 7967062.19 5134117.482 3221829.472 5875825.95 8192945.56 8685666.739 8684922.674 6487378.014 6593373.747 6426937.103 10897862.03 15397753.88 10755485.96 8056037.417 4764620.896 7862929.221 PA(18:1(12Z)-O(9S,10R)/i-17:0) 2856988.26 6444795.321 1864804.408 2856988.26 3452108.555 4484730.43 5530293.778 6417035.609 4004601.043 8294386.202 3914166.701 10979439.24 7163083.821 1681637.766 2184433.336 3630172.2 6647983.705 4468160.573 7021807.436 3334988.231 6806488.24 3965192.765 14206291.78 11172795.91 Cellulose, microcrystalline 4499686.465 99093149.42 134077543.4 4499686.465 1300639.792 2029413.23 54673071.12 107546933.8 109163771.9 903984.8321 2173260.058 2202879.184 125794406.5 105998977.7 83889384.86 1057095.776 1794843.852 1178951.08 258128978.4 379186275.6 562865514.2 7237921.833 10245218.89 3318982.578 2,6-Diaminopurine 2',3'-dideoxyriboside 17904037.51 415887.6772 2753398.25 17904037.51 16463742.18 28043227.76 128750.5563 1855930.947 1357193.757 18257157.37 8684054.725 11785622 158724.5206 2022298.83 2420396.087 10995780.21 7874389.028 7400547.146 2009969.004 2539655.015 2869748.002 10544285.75 10151190.13 7132900.435 PA(i-19:0/5-iso PGF2VI) 19401168.1 19077837 26573226.98 19401168.1 16287167.23 10132766.25 19134884.58 12422741.78 18006390.45 12241310.7 17694223.34 14712697.13 7604070.93 19057122.66 21244044.13 12247976.14 15066742.82 15898395.87 11912437.64 19687304.47 12065080.29 18822010.07 18597348.48 15905249.48 1-(3-Methyl-2-butenoyl)-6-apiosylglucose 6363563.849 67458833.4 110534343.8 6363563.849 2473143.476 2427111.062 67835102.29 64611008.19 130153096.6 2163396.394 3398739.863 2916396.82 36059585.86 71413221.39 76627855.6 2452773.413 2601833.126 2278559.038 179900477.5 428344330.6 268456947.5 5580461.217 10407636.87 2194226.44 Cymorcin diglucoside 3886953.658 40612341.78 51147773.21 3886953.658 998855.9716 2732376.382 38912142.49 43097605.26 107713849.3 2269589.427 4441094.481 2121315.635 74378388.33 68619826.93 45751326.95 4835311.095 4098173.464 4088638.457 52284812.85 41355272.85 53891482.73 2139862.895 20291213.89 3070813.871 DG(5-iso PGF2VI/0:0/10:0) 17385651.97 6267538.274 5540420.78 17385651.97 12902403.53 12426769.05 4369947.124 3622710.637 4164117.984 10669087.45 16242916.49 53152741.66 4868424.405 3690649.037 3558452.491 16562542.69 10471008.9 9888490.982 5036530.589 4013547.74 5784906.571 13378912.89 10048817.39 17860230.49 2-Hydroxy-4-methylthiobutyric acid 2962579.535 927908.2442 963806.0141 2962579.535 6449069.883 3518262.565 2904667.921 2364718.129 3821360.9 4732415.292 3055485.665 3231319.488 1218252.252 215903.8607 261763.4725 2893234.987 2790097.089 3883085.805 218016.856 884909.3823 4317217.605 4577141.119 4208266.158 2454270.558 6-Mercapto-1-hexanol 2939857.11 28066918.02 18592021.59 2939857.11 2375569.023 2303513.105 17959053.96 20686614.2 22236194.11 2379676.303 1112467.04 3273029.527 25873274.7 25593202.8 17863310.28 3057620.67 3734134.608 3542682.37 52059304.52 31249617.95 36318914.9 4162054.99 11578202.82 3364920.291 Threonyltyrosine 2515719.848 4862963.338 3075780.309 2515719.848 2647028.44 3337986.502 3309450.674 2787144.642 4106246.049 2819131.527 5633108.236 3512041.768 3905776.844 3565631.539 2400094.013 2967438.51 2537972.513 2425434.471 2474905.867 1686744.165 3239338.347 2201241.358 3317089.122 2436118.943 3-(3,4-Dihydroxyphenyl)-1-propanol 3'-glucoside 13434719.36 7763907.526 10429808.61 13434719.36 5167982.015 5743829.029 7843015.652 9560763.174 6603223.225 6412119.669 10305961.58 7240507.429 11288524.26 10714838.52 5876635.938 11228149.11 11108173.01 8717234.988 9141093.149 8915049.866 10050163.39 7375060.087 9149354.038 7674947.503 3,3'-Dimethoxybenzidine 1176340.621 2419160.357 3615589.267 1176340.621 864900.2305 1172512.915 2977992.423 3894424.307 4349056.928 1285947.396 1446912.564 1066182.721 3975350.428 4417463.929 2276448.721 1506308.132 1194633.91 971428.4929 4825445.943 5431195.365 4277432.279 631577.0714 620417.4138 1616656.414 (2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol 20941129.2 997842.0159 2892667.569 20941129.2 16178853.19 15751783.48 2104352.113 444562.6595 1080337.57 20137444.97 23294450.95 18628391.97 478097.244 1290225.404 695586.7075 14942239.03 17247565.86 17053406.51 108948.4556 637323.3241 677000.4397 23922138.56 17934053.93 18953796.85 (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid 741019.6151 9030592.214 5006403.737 741019.6151 848163.3385 80513.4042 5917967.658 9108964.772 14151031.89 85247.32524 86695.96915 40906.87978 6407514.544 8372443.796 6099877.722 58887.73614 56043.05984 46572.36715 6335416.917 7326904.36 4630718.03 395474.9508 528859.7477 1733034.556 6-O-Oleuropeoylsucrose 11253822.23 19499131.07 21766752.39 11253822.23 34298397.19 8010351.165 24375818.98 25473688.29 21370234.21 29497130.03 24533844.09 22371259.12 35291367.95 47161635.63 27185757.19 8399597.295 21720614.52 18074200.27 50245845.87 66823089.63 62744111.07 13335837.39 3143503.398 11619148.17 Rifampin 15373821.73 129306833.8 90688056.42 15373821.73 36207074.04 4621608.109 296523440.9 83892702.76 193150884.4 40661358.85 19605108.4 15413573.83 46823594.53 37345662.08 45940313.98 23893528.14 41176310.15 25847736.49 35589373.78 82327820.66 100263092.2 53181511.27 17801856.06 45760580.35 Cetylmannoside 15163787.15 19843475.06 11862377.35 15163787.15 16849459.67 20552903.14 9925331.831 10610566.36 11722274.81 20702289.07 17199973.7 9095826.872 13630395.88 19556942.19 17674518.09 10813294.22 9821346.227 12779931.45 16336853.82 18444161.65 8372461.766 18186605.18 20598389.9 16979440.02 1,1'-Thiobis-1-propanethiol 183136.5415 185352.213 613679.9973 183136.5415 26489.13358 318557.9614 479624.0881 334942.1396 814099.1616 62797.87969 251091.2354 234536.8021 392197.924 601611.8948 805211.3269 139736.9215 205859.9079 193966.3659 852440.9225 961555.8267 719330.0776 104946.9676 341832.1472 157184.036 PG(18:1(12Z)-O(9S,10R)/22:4(7Z,10Z,13Z,16Z)) 654207.684 23601031.11 16909918.18 654207.684 1156095.101 1132298.042 10493237.4 23375003.89 16592679.01 1472328.009 1232878.841 102017.3627 26686477.51 18609508.19 16867164.29 630575.5945 34649.54093 1567603.047 18730545.73 13532424.49 12327758.47 3319491.806 1648606.293 1912440.112 Glucosyl passiflorate 2208760.607 831919792.5 878854082.4 2208760.607 1418311.49 1548935.34 531735418.5 857939261 594262163.1 10663380.18 5294050.774 887625.0457 1079984539 1066707516 804777012.9 2349901.066 1029535.44 2454204.806 863791164.4 365719939.8 486799451.2 9779636.488 2424524.65 6833682.876 5alpha-Pregnan-3alpha,20beta-diol disulfate 16952292.98 261853091.1 326621767.9 16952292.98 5857398.482 3368078.598 221948820.1 115540602.9 215940490.3 6893459.092 11834528.65 8848204.497 298073619.7 241248610.7 223930117.1 11524485.3 14135267.59 12184934.12 272493820.6 424440949.2 335204163.4 13049527.89 37187109.36 13924138.97 Mono-trans-p-coumaroylmesotartaric acid 20487751.08 3700056.868 5143290.29 20487751.08 7966176.43 9427597.768 6010529.861 3707780.79 5217560.5 14501931.5 26687138.08 14397411.41 6095947.469 6305443.832 2727729.765 15589273.29 6781608.668 6321034.255 3017162.514 4262254.189 5055814.806 12969262.5 10816673.91 15398036.59 5,6-Dihydrouridine 831726.8535 6267538.274 5540420.78 831726.8535 1423755.352 792939.3618 4369947.124 3622710.637 4164117.984 1352697.511 921050.7169 559476.5367 4868424.405 3690649.037 3558452.491 1797734.53 644350.5724 1749244.234 5036530.589 4013547.74 5784906.571 1594695.676 2097516.488 2196153.909 3-Methoxy-4-hydroxyphenylglycol glucuronide 921984.8649 8041592.28 18939376.48 921984.8649 767234.7898 289793.4748 4825770.864 9298010.393 3581751.378 112910.2944 246108.3251 131373.3569 10514685.28 7560032.208 9091283.555 576401.4552 763173.8085 970534.1484 8342581.163 11852568.62 9936048.047 1269380.504 324760.2211 113579.193 PA(16:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 27256700.05 22745524.92 36739599.22 27256700.05 32710452.47 24133771.29 28366893.1 25417942.6 27203607.05 34397269.92 39470760.7 33464896.26 19075733.91 35371504.25 36633171.75 25611503.87 47586689.51 56467900.64 16245327.65 29283789.38 17071115.34 54489161.4 34759745.3 32265173.74 Smilanippin A 8643341.928 559993253.2 440952438.7 8643341.928 6640571.044 6043437.574 400621876.7 371963781.6 391567122.1 10898267.22 7220633.276 4587023.556 441476446.6 402085044.6 541256681.8 8817953.921 6398153.689 9530805.819 475645523.8 369329963.7 409876469.6 12140642.08 7040115.343 8529989.111 Glutamylserine 3266663.966 953006.25 1029024.113 3266663.966 3740847.078 4487386.223 1474336.711 803789.0069 1394112.471 5108056.898 5973851.816 5163079.149 895442.602 1234980.849 1144260.345 3265593.898 1833535.934 2647519.268 802435.008 632283.2167 2204830.045 3279662.726 2680207.335 3113442.612 3'-Hydroxystanozolol 5442051.251 746349.409 699794.7633 5442051.251 3695004.749 2175873.5 2329642.643 710794.9242 410210.1318 3116811.631 1276243.653 4651106.262 820622.2339 628579.4074 1557075.223 4018532.539 6139480.212 4492443.453 156017.0418 775058.5852 636586.509 3505916.147 2287287.636 3729419.75 (S,S)-Np-Histidinylalanine 208190.1674 256443.3726 89301.60881 208190.1674 224647.4993 188994.9112 129025.3731 206062.2208 227676.8189 103893.3629 206917.8926 257898.6048 156032.3026 300168.5961 136403.1407 256986.3024 166955.2867 95614.07301 101100.6205 36629.75889 142728.0633 263998.1985 321269.9307 227381.1216 4-O-Caffeoylshikimic acid 10828645.74 7923235.08 5949897.601 10828645.74 3792140.002 4491572.186 7857712.163 5998085.307 7961063.39 7227928.953 11751262.37 6007162.151 1830403.615 6355954 6827059.627 7663359.724 6164939.156 4004644.909 4051128.718 4369163.388 3721502.224 3875504.903 8821260.559 6046009.757 Semilepidinoside A 177823.8809 18386032.12 14766079.92 177823.8809 221325.766 394542.9796 20857312.2 16796535.81 28663766.18 1079962.819 215661.7357 314265.8904 18073930.62 22470089.97 16074924.62 321486.177 460273.8462 411142.831 16647204.13 18258093.39 14698994.84 1264717.153 3117030.094 395482.0435 Dihydrocaffeic acid 3-O-glucuronide 17802454.65 241720725.4 147812215.3 17802454.65 11731090.32 10049447.99 162580540.9 109780638.3 213279665.6 10974437.64 16644103.26 12759615.5 36163767.3 117279599.4 385754783.1 14369862.82 10735424.79 11734913.32 203782025.7 652453063.2 191856104.9 11324451.94 25527638.59 10940057.08 Methionyl-Tyrosine 806226.2216 1618991.752 910396.3142 806226.2216 817724.3548 637977.7033 1223924.714 447339.8898 1426605.083 680962.7302 1589661.081 596326.4276 466321.8375 349673.8558 575482.7868 381230.1261 419259.2972 476709.4619 548642.2957 133846.6413 565444.7872 746226.7395 432299.8456 786105.1014 PA(6 keto-PGF1alpha/16:0) 1567762.975 6658499.477 8792606.153 1567762.975 2866242.064 5349179.949 19365697.34 7802514.919 4796452.838 3486632.463 6474442.584 8205797.309 6543335.642 9549706.297 7179466.313 3566980.72 9397077.751 11358284.85 9707072.447 27497289.41 7079804.306 13182776.96 9327953.592 10992271.14 B-Octylglucoside 2733138.811 1516836.289 2409564.156 2733138.811 1784722.675 1259737.832 1861476.664 2249414.018 2564250.406 1943218.042 2833997.645 2489869.666 3653981.181 1515514.452 1464005.335 2734476.669 3696077.619 2240150.488 5352247.289 5027526.554 6221236.851 1607758.986 2218079.277 782442.0088 N-(4-Amino-5-methoxy-2-methylphenyl)benzamide 4104485.365 9663354.481 4529642.621 4104485.365 4761282.227 3077682.649 8560084.959 6692129.043 9658054.851 3837059.065 4052839.587 4929114.33 8996334.762 1295923.78 7144777.313 4477823.163 3809938.558 4100335.886 2404585.101 5191217.614 2557841.694 3982459.629 3849738.514 4744522.511 Arginylleucine 7575314.441 9985732.065 8488053.532 7575314.441 4996262.078 12608246.65 5359536.959 10856180.19 8064551.583 13809046.38 11485224.23 7045685.374 7185096.715 12827297.65 5045614.414 4581486.019 3640980.856 4501215.238 11528379.19 5203707.583 9853127.283 6902128.314 6323481.997 4828288.226 2,3-Butanediol glucoside 39523.11557 2863102.699 3116758.486 39523.11557 16128.06865 569703.0142 2766215.745 4787880.171 3379299.16 47951.82735 14694.81867 23104.77485 4063172.163 4765219.295 3283575.341 20981.93699 28767.42135 49781.45385 6654357.922 9372791.844 8885061.193 127486.9952 145997.0424 24606.33455 Dimethylthiambutene 1713262.704 3508362.366 7800602.19 1713262.704 2743765.065 5855320.378 7279086.749 5986879.447 10259595.94 2943807.382 4089251.02 2777072.332 1558461.065 4645160.611 7717092.557 4740060.828 2041833.508 2109803.833 2177018.449 5706445.873 3624693.292 3223320.01 3362520.651 2108757.016 Cyclopassifloic acid A 998882.3901 21197378.41 16262521.07 998882.3901 889409.9446 1118681.981 18550933.44 19974910.74 31022845.66 173828.7796 1192855.49 912465.0332 16173929.78 19276994.77 9648859.665 371476.9521 1084411.663 1235085.089 9704438.297 2301614.541 8145363.779 1535974.632 1458021.99 1598956.491 PA(16:0/PGE2) 47654550.81 13313223.74 18094909.61 47654550.81 64815931.46 24156156.02 20008318.43 12902543.89 5151810.852 28613598.19 64155884.33 35381742.2 5658111.889 18296075.85 18174183.67 28749640.24 55205092.92 43135454.27 3705099.52 9174700.219 3799648.604 70162431.37 46973701.28 44889844.39 PI(18:2(10E,12Z)+=O(9)/16:0) 4415764.227 39589788.79 52871378.53 4415764.227 2090004.994 713604.7202 28483306.98 47109471.77 29850292.67 1324226.155 6267728.571 3922875.427 45368584.63 47037334.99 44829945.13 5501193.196 6548371.787 4584799.693 47165139.25 49796437.85 28997562.12 7175621.26 4255917.212 3218738.223 Azukisaponin IV 126347076.9 10860688.83 24320125.92 126347076.9 80896625.82 79010880.67 25972722.11 16986565.78 23179634.88 111543441.2 116309379.6 92061970.16 7427816.779 4696636.452 10842943.59 123616759.6 120190603.6 82580958.13 5818896.055 25756320.22 19259157.86 128590866.3 83774511.49 79175015.6 LysoPE(16:1(9Z)/0:0) 10139152.66 28665.62671 2217660.885 10139152.66 7027987.288 12696645.3 70932.74961 262838.7818 37395.19386 9637317.715 5607927.975 8985498.137 75355.79362 101692.6676 965598.5174 15574701.3 6977158.824 4732740.796 525446.0908 198486.9912 109206.6944 9728084.166 11210953.93 16855944.79 1-O-Galloylglycerol 13739146.48 2658340.246 3139362.581 13739146.48 9826870.972 11030938.54 2813431.839 3082996.713 2968065.907 9987566.335 23757393.45 10600491.14 3282740.058 4404569.436 1882609.309 16757262.01 9523151.997 7804918.509 2599648.154 3711162.326 3596446.113 13097231.14 19055939.97 15355124.16 cis-3-Hexenyl b-primeveroside 3016707.219 631559580 441666277.8 3016707.219 3580342.821 3436930.083 499900778.4 449259630.9 542211766.3 6666058.432 5288643.322 2613836.554 740918815.4 619670273.6 496287321.6 5268481.411 8431030.303 3562673.056 802031543.1 574691188 622326105.1 4936607.974 14253314.58 7963733.687 Agar 1434175.852 5387870.8 6168639.758 1434175.852 3759236.071 588832.3639 9817653.009 4475197.929 14695569.64 5825712.482 7927419 2390792.185 4300949.638 6652642.357 5160394.583 5483401.944 11869918.96 8821281.299 1794161.505 5646756.098 7865298.686 2568328.739 7531732.334 5457883.297 Lupinisoflavone A 3799772.405 3418020.1 3471720.006 3799772.405 2108380.584 1248156.092 6029146.001 4159228.558 4919662.857 2008247.949 3526968.974 1346059.329 3456927.374 4151919.927 6286356.115 1592640.033 3834929.509 2117389.471 2468073.855 4807109.959 8029296.783 2284125.346 1242151.456 1449435.398 Umbelliferone glucuronide 20096626.65 8605402.592 8788038.213 20096626.65 9697020.075 9093959.674 8142926.298 12417980.86 9507153.923 15297496.71 23268891.48 15179620.44 8642935.3 12849909.74 10697466.07 16696912.1 11902697.75 9857572.347 12215668.63 10206285.16 11361208.81 8769247.175 22290383.96 13178072.55 Gingerglycolipid B 4899456.215 20760760.47 8675752.184 4899456.215 16107491.41 22811329 27400724.9 19341993.36 14467392.62 21340802.59 5798432.069 15998654.87 41353118.41 15856308.57 11582702.61 20599108.84 8211968.098 16923242.19 28430877.22 26737747.08 18906468.23 29120638.92 18411077.51 31341970.92 Neuromedin B (1-3) 3209398.317 8499530.11 4924889.378 3209398.317 1551385.524 1506727.571 3111837.483 5037013.437 6151940.838 1575367.446 2265639.536 1315486.325 6753001.534 5457790.242 2488397.94 1388192.868 720001.9397 1679719.727 7020578.47 3430940.899 4972660.065 1837979.333 1933176.911 1352965.117 PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/P-16:0) 1177712.045 4821339.339 1526411.96 1177712.045 1091156.267 594468.904 572234.8926 7172176.38 256642.7206 1030369.256 110236.0747 861504.7479 595617.16 108202.7609 927117.8757 1119349.222 816534.3344 1168355.121 65216.44255 46002862.45 14556880.78 1133404.907 416456.9975 1140461.167 Isoglobotriaose 98412.22474 6679293.552 5879901.665 98412.22474 44690.64687 88376.51402 7123262.645 15392821.52 10610980.5 48273.03235 185308.6095 235640.5124 11366574.25 10183715.12 12724586.17 44412.88315 21933.99061 200111.3007 16140252.94 14491202.39 14282201.75 942786.8363 1076288.184 312532.7742 Bacoside A 138225.4496 20072728.23 15410958.34 138225.4496 1059016.239 1222242.499 14615384.76 9102493.951 6923630.954 1442328.549 93614.20996 957816.396 19514383.9 6794584.153 13121115.95 1842867.558 789870.6353 1117698.881 14510877.4 4288521.658 10081904.73 1524816.606 1802791.464 1946085.799 Etridiazole 711327.8785 205848.7178 628303.3491 711327.8785 1174857.296 1265079.752 1828324.622 604806.4095 882250.2153 895371.9828 1165707.818 949138.2002 847030.8606 889614.6828 1558424.688 1350949.407 1095073.664 1472567.488 216107.3585 626237.9283 624469.1584 2105376.103 2681446.464 1360640.174 N-Succinyl-2-amino-6-ketopimelate 951623.8509 4124420.795 6786208.703 951623.8509 1041799.457 987374.7398 1037208.073 5143741.056 4246489.324 1017504.839 1543285.361 901160.5389 3011561.627 2641086.775 2933987.797 1459444.391 950881.7415 38731.59409 3607350.193 2520324.674 11408713.87 1469540.834 47262.8891 43815.96707 Arginylisoleucine 3966514.049 5331244.422 4111612.521 3966514.049 3803093.281 4005420.526 2835872.443 3284352.253 4267564.476 4325192.541 4227665.486 3271081.994 2978774.419 3597728.647 2159753.42 2468981.977 2526313.251 3116967.075 3106809.314 2828267.666 1706172.033 3071690.193 4501797.094 3151638.046 Lepidimoic acid 35779404.24 11602766.14 5160429.485 35779404.24 25953425.98 22721091.96 22892797.36 5593457.922 21535920.55 47818297.87 20954919.81 19147263.55 20441665.61 13848871.79 22663771.7 23841195.72 39306885 31709600.23 8064928.075 14950838.86 11743861.13 47071188.82 36139348.37 35453019.29 Trimetaphosphoric acid 3760365.128 1997173.086 863251.0914 3760365.128 3388844.416 4688465.654 741699.7624 1817437.069 1668543.85 4021057.443 943982.8154 3347734.825 1761623.865 1916253.814 720671.84 1739001.706 2954442.374 1470696.405 922438.0522 526672.5324 969849.6906 1439344.571 1717699.61 1206418.674 1-Thiocyanato-4-(methylthio)butane 175862.613 1040943.808 618517.5402 175862.613 287324.6088 524660.1374 568229.8189 560842.3205 515838.6221 709020.9918 749136.3857 540647.0055 691749.4095 303897.9247 241245.2964 696962.329 198702.0987 723237.149 443200.7413 204462.4207 545921.0142 421680.1845 946415.5876 850069.7448 Trimethadione 63025796.2 41054827.72 43729670.78 63025796.2 47866293.17 50452350.85 47732555.29 38615068.06 49730837.73 55420887.54 120568914.5 45729989.09 38794412.64 48293091.96 79605565.09 67214172.69 55069628.02 52307014.89 33899459.71 50974139.51 31893143.3 51587942.27 54389960.66 52939005.84 Dihydroasparagusic acid 692133.8961 1297065.519 1698973.471 692133.8961 807015.0981 9217.596982 2785439.044 2108121.976 2779986.085 32173.59354 23954.51059 582740.7014 4660005.93 4515453.42 3347432.666 923317.0893 659061.964 983043.2517 5792816.362 4143730.673 4291610.722 8128.644433 1052739.78 1125304.245 Imidazoleacetic acid ribotide 2435521.053 1994407.69 1972272.076 2435521.053 986396.7498 3786613.744 2672681.621 201964.8506 3583518.393 1876189.039 3308053.584 2826741.534 1128559.725 3630162.664 2709033.868 1785464.276 2013363.134 2267733.504 3180628.687 2675952.767 1971531.987 2343141.827 5399235.299 2462663.193 N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole 5011601.897 5164164.82 5088726.103 5011601.897 5723251.328 5882040.5 8983434.203 6181711.714 11008807.74 5821252.771 8766682.373 3853432.871 5267910.361 7332652.785 5279777.803 5072115.492 2589284.057 7365021.804 6471642.764 5299640.152 4649965.791 5732246.886 5550852.781 3201080.185 isorhamnetin 3-rutinoside-7-glucoside 21540866.66 55559311.05 64304038.07 21540866.66 11894635.01 12148933.59 69559177.08 58227488.87 68242227.24 12780671.92 24193566.14 12837986.53 88865622.92 91335704.32 71086788.32 13839203.68 14739463.2 9539453.34 96750835.03 41890680.11 38559525.71 15234172.16 28038748.4 14708621.1 Phenylalanyllysine 2958452.948 6899735.771 4366432.36 2958452.948 3297859.099 3589582.891 3364719.455 2832772.387 4930688.397 2973090.946 3424651.69 2451424.053 3257530.766 3337703.91 2403457.454 2208630.888 1963639.809 2887650.582 2106529.587 1368610.54 2987140.047 3305904.772 3688026.989 2388425.175 1-Lyso-2-arachidonoyl-phosphatidate 225369.6337 351574.8582 302131.3534 225369.6337 802674.6024 1064165.326 220694.5245 33803.06315 56262.06667 1514050.534 508918.3018 1049563.383 125424.2432 44084.09468 70912.49939 1424348.412 694132.7268 508650.109 234303.2773 420336.4213 414525.4184 229372.0506 208343.0137 466974.1323 Isopentyl gentiobioside 810988.399 4476707.551 3467300.602 810988.399 1080355.24 603374.3232 4913040.558 7140070.315 5671813.267 862859.6952 909084.8561 517065.0688 4890216.699 4686612.645 5459397.873 1542270.586 439437.0266 1357273.166 4388444.789 5068884.729 4444221.848 1449282.585 1696474.699 417854.4475 16alpha-Fluoroestradiol 1789612.096 1527666.437 699584.9459 1789612.096 1634160.314 1361276.765 424011.7382 266530.638 844230.2337 1510749.173 1847969.747 1441827.924 186216.212 469917.704 389070.0678 739957.5704 657958.8821 821892.2876 445336.0217 78172.23574 379006.1163 1239097.574 1359019.303 1131820.463 9,10-Epoxy-18-hydroxy-octadecanoic acid 4543518.853 4425138.44 3588019.358 4543518.853 4181766.037 7317648.088 3188803.636 3858245.826 4057671.514 4091240.318 7742114.982 7553548.924 2838401.465 5099498.776 3211855.252 4564012.962 7329506.301 6820069.425 2566270.987 3151091.409 1715994.238 7054831.625 8819477.565 7852605.112 Zeanoside B 4588093.687 36554715.07 41384259.41 4588093.687 6954794.995 3699538.851 40063166.84 45705557.84 63754216.84 6155651.516 9250447.818 7862628.182 44923920.42 57126976.24 55637348.78 10177882.98 7079083.617 9563603.793 56454531.14 66477796.84 53018860.23 8355109.897 22203804.62 11326579.78 Pratenol B 10950095.76 664539.5556 959558.3464 10950095.76 2895098.994 3294684.671 1126671.567 1252683.128 5052476.887 5391408.14 9542480.905 7989657.197 199975.2649 952224.5081 728897.2401 6312314.576 12365124.41 13553541.23 1580609.584 172465.4143 1611216.982 2970574.471 2985631.829 3024788.201 modafinil acid 4313945.272 1387707.636 268627.7646 4313945.272 4840209.819 7543027.49 271465.0783 873665.0297 1326492.123 5255051.553 1723301.737 2061798.503 567110.987 836236.6685 343769.54 5838245.167 4137665.187 3353037.561 604218.5126 411120.4089 125701.6233 5108943.38 3700386.856 3206256.015 Cappariloside A 942572.7984 19469120.15 13838012.34 942572.7984 582233.3733 1138476.14 16864172.45 25122787.81 32827725.05 1264711.787 2048214.35 864125.5691 17140305.77 20947896.28 18424006.55 1464383.401 765025.7324 1018377.78 16962813.18 18742201.08 15035070.23 3353168.201 3297577.798 1174744.042 Corchoionoside B 4001608.341 61941611.9 54308757.74 4001608.341 3999650.426 2732534.283 37654028.51 39629987.7 68260422.16 4203008.326 2276026.241 2351943.246 93229684.52 81317901.84 25520215.81 5503789.686 1368985.062 1036133.124 52057870.24 60208039.17 75298284.13 7326404.387 45114656.9 1413684.03 2-Hydroxy-22-methyltetracosanoic acid 1956868.363 1537267.86 323747.7622 1956868.363 4500978.308 7174165.848 5339873.205 698049.4929 132134.1331 3792665.572 8653426.926 6351492.425 5556274.519 60757.70075 65708.13224 763497.6546 10104280.58 6961775.966 5468134.136 24551.96779 29007.97953 4427613.662 8136632.188 7284615.04 Ligstroside-aglycone 1429055.798 673489.6505 1664813.156 1429055.798 2248091.317 1701059.894 1373200.008 710188.0286 1760067.753 1521523.353 2150751.652 1275451.109 810549.5995 1495628.055 567320.5091 2368014.343 1678755.135 1522066.048 261749.0499 1215071.82 304520.6206 1940442.856 1675950.778 2143301.632 Ethyl 4-(methylthio)butyrate 1246000.407 6607119.894 5439342.964 1246000.407 2278247.841 1517326.135 4788960.907 3929652.477 4713511.671 1710207.454 1697672.923 1239611.568 5281215.441 3451176.511 3917084.973 2709174.205 902044.2753 2237997.803 4773336.041 4131314.727 5462200.083 2430069.425 2690845.893 2957690.343 1alpha-Hydroxycorticosterone 9260724.718 6607119.894 5439342.964 9260724.718 9584891.497 8168141.764 4788960.907 3929652.477 4713511.671 7998998.294 11523664.55 5384155.981 5281215.441 3451176.511 3917084.973 9992039.971 8033293.877 6917379.964 4773336.041 4131314.727 5462200.083 7062299.296 8298963.327 7557628.56 Alanylaspartic acid 2567954.763 623485.5906 165991.9924 2567954.763 3497280.84 3290800.872 837905.0134 309996.1784 989288.2318 4285334.292 3995549.838 3638228.659 137185.0737 773691.3118 754042.5897 1908885.415 1658370.713 1888483.926 119367.9142 513850.487 1210992.657 3973379.336 2956550.384 2447017.768 Dolichyl b-D-glucosyl phosphate 36185969.44 541161.1431 3416000.13 36185969.44 34742607.78 42795385.18 2033765.039 2113694.267 528392.4017 36665601.34 39252543.58 34397486.01 572666.8086 615675.2964 1906310.896 54403517.44 42302306.98 32350379.04 558406.1513 1731571.555 176289.6216 29274852.84 48442523.63 71389263.66 Xanthotoxol glucoside 27459871.01 1036842.907 2194258.054 27459871.01 8424034.855 7960874.2 528033.7842 3419996.83 908506.4868 14295539.22 23216469.48 8473588.332 9108108.518 3817121.487 1025162.487 13901817.37 10512311.89 7149698.283 379923.9668 3151662.752 2081171.018 12396350.87 18578687.82 13128574.94 Indene 26466662.63 3571726.059 14095838.01 26466662.63 19940216.32 22410307.25 7908472.502 5830925.871 7522980.235 16486190.33 24791992.86 20224350 1820179.504 3919086.572 7396134.076 20638021.6 22394925.38 17588307.57 1537434.561 2984696.898 5690235.29 30991806.54 15587187.76 17983461.54 2,3-Butanediol apiosylglucoside 2396823.506 16322596.83 15238779.61 2396823.506 3052538.269 3281786.899 17122703.12 14294873.13 11803826.5 3102463.772 4195019.469 2769029.433 15672176.45 33894352.47 16016444.2 3711138.231 3741066.603 3601323.65 41632680.16 18294431.63 22462671.68 5049961.073 4440710.231 4981854.48 2-Methyl-4-propyl-1,3-oxathiane 1683099.802 861700.6026 774808.5172 1683099.802 1269286.614 952643.9689 1334044.978 118679.8107 4330228.317 1596504.604 2138308.584 1953922.819 519564.3385 571012.0921 343446.7766 2852580.426 1290313.515 1783583.159 452450.1019 542802.1297 236634.5454 2217016.392 1764402.05 1688261.541 Ethyl gallate 3-glucuronide 17405326.18 47309615.04 24103789.55 17405326.18 11479512 5530755.108 35740672.42 29591506.89 24382604.11 9977143.043 17525828.92 8549537.386 8382372.855 19496132.39 15718596.94 9266107.036 13292317.83 6023376.401 8297899.613 20335475.14 13548558.48 22409768.65 10657975.75 11168893.48 Cryptophycin 52 4104485.365 10657618.98 5581651.677 4104485.365 4761282.227 3077682.649 7995295.28 13072255.04 14089224.79 3837059.065 4052839.587 4929114.33 20295386.95 18113150.79 13966942.08 4477823.163 3809938.558 4100335.886 14630894.08 14383284.44 13198619.71 3982459.629 3849738.514 4744522.511 3,7-Dimethyl-5-octene-1,7-diol 1-glucoside 183733.3679 3465247.174 1870805.825 183733.3679 656881.6949 928216.9599 4318322.506 3278244.275 2584924.452 1078453.249 1098596.56 694032.2075 3459807.104 3230043.581 1619115.543 1262731.2 671238.3281 691115.335 7813172.664 8112958.459 7941989.688 128982.5014 127462.1921 1313483.549 Cimicifugoside 4104485.365 41192266.81 32155468.18 4104485.365 4761282.227 3077682.649 10593423.42 10324975.78 9314669.214 3837059.065 4052839.587 4929114.33 30658456.14 12407141.49 19143484.5 4477823.163 3809938.558 4100335.886 31395337.39 4493947.651 10553523.98 3982459.629 3849738.514 4744522.511 Goyaglycoside c 69180.21891 159619432.2 142593879.8 69180.21891 324636.8764 1109485.561 236962669.5 129805611 120418069.8 1334053.471 1291294.845 72604.11067 180436578.8 112190575.1 189741953.2 129275.286 823077.639 139854.6925 284705056.9 242759946.2 245481398.9 780801.5499 1460943.532 1733034.556 N-Acetyl-9-O-lactoylneuraminic acid 105087.798 355502.4711 469354.9344 105087.798 545309.6239 451379.6982 1168210.265 800328.3271 1703533.334 335449.3038 636340.6287 358145.0776 1163612.298 600779.9564 96627.93906 655924.1391 103778.761 89022.36678 546869.5413 239136.6441 589674.6667 648816.4262 538046.2245 675536.5198 1-Stearoylglycerophosphoserine 1189536.772 2108814.98 2573322.103 1189536.772 772410.5982 679919.3805 1182880.826 5575765.052 2091894.128 917653.0027 1367941.58 728983.0238 947723.919 1255394.83 1773808.337 1605081.776 604763.9696 750413.764 416396.4948 846885.0664 341130.3929 1093099.716 949137.5512 759195.18 2-trans-O-Feruloylglucaric acid 39989429.29 96110517.8 122917960.5 39989429.29 19951498.05 6366851.372 117284244.7 150317410.5 97277777.84 16328115.04 21460009.53 15482657.99 78637419.71 72507491.11 217542644.8 18955238.4 14871546.56 12926611.75 114451903 119329399.3 149808692.8 31736419.51 23025802.88 12779426.29 Glycerol 1-propanoate diacetate 1753341.012 2162817.235 3685623.152 1753341.012 3626729.244 2673975.952 2440790.749 3453195.498 3357213.109 2684814.214 2986637.192 1507100.532 2759465.913 2362725.553 2064313.049 2391283.216 3901607.897 2001427.626 4401643.474 2930886.877 3088482.68 3601114.17 3616934.151 2271840.023 N-Undecylbenzenesulfonic acid 89494253.31 40827934.26 48502532.02 89494253.31 86484220.7 132334768.1 40816222.74 49042903 33601005.4 80983976.73 182948486.4 96081539.14 43690439.13 33011346.46 55970164.35 108142151.1 44738134 50331426.23 61749345.01 45989550.42 88745998.32 80762098.95 95110965.66 94403769.94 Hexadecyl ferulate 93061192.35 347095.8167 95226.36159 93061192.35 89606390.08 118739743.2 1997815.515 203809.476 1048181.508 103735102.3 109423788.3 104305139.1 788245.3408 349169.9149 201037.5495 112365195.6 156983223.5 107809097.6 2971251.585 399922.4792 311536.0697 172887851.6 287941671.8 199102061.2 Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate 1554671463 1267587.543 613101.6874 1554671463 1616713913 2730337999 4133198.724 365677.8065 1420550.213 1983763080 2395917058 2226959014 3231887.795 618026.6684 105533.0225 2168902706 1973682777 1703599943 3669190.871 456362.6913 493630.4601 3643964167 3931333733 2543573597 2-(Sec-butyldisulfanyl)-1h-imidazole 1442080.503 1470635.17 1695435.155 1442080.503 588138.1417 351625.9465 2851354.05 1470010.976 2894038.271 598738.7574 433337.0242 2157934.803 2273596.9 2651711.282 3857671.102 829080.6472 1108906.346 823433.2826 1392979.546 2506761.848 5569737.668 1264997.249 1145025.621 903024.5557 Urolithin C 3-glucuronide 11247837.07 456159.1657 1456812.278 11247837.07 5420707.141 6015691.936 1000845.689 544530.7507 1467063.624 5605853.849 13923562.67 5104779.883 912393.1353 1626019.348 436042.1355 6121864.252 4740682.127 3346505.047 855581.4623 1144786.769 1799098.635 3735574.912 10252799.91 7184846.216 5'-((Z)-Feruloyl) 3-(2'-methylarabinosylxylose) 1448638.698 10058021.17 22092000.79 1448638.698 1167965.49 1293584.772 6174886.183 9575030.198 16401155.5 994363.6964 2054117.818 188507.7753 10242531.42 15384154.8 21027972.55 160779.3767 272184.1082 582879.6161 13570940.65 23015593.08 15322427.43 1078397.769 1273350.796 1124386.755 Glucose pyruvate acetate 1029473.224 907366.5589 844900.4468 1029473.224 275756.6996 161353.5729 188135.5782 242323.1946 492257.2008 164492.605 668840.1739 197636.9155 180156.863 632394.8254 489732.772 308772.9458 364581.4524 21168.41013 1066188.904 1123309.34 1760484.614 438987.1683 157891.3743 485377.3845 19-Hydroxycinnzeylanol 19-glucoside 240282.2979 1920133.711 3094102.97 240282.2979 2294698.92 1772665.093 2578356.892 1700995.288 5641165.96 2109461.693 1478860.852 490377.2324 3590747.88 5027643.692 1919602.765 2048198.141 2781987.518 1921111.417 1132373.265 1268074.721 2372890.416 4364643.506 2761132.663 3652253.806 Tyrosyl-Tyrosine 2964178.194 2229700.295 1030314.3 2964178.194 3187076.239 3403200.334 507764.5363 595380.0561 1842585.356 3395333.873 3129199.386 2428066.973 199811.8687 1546485.917 569610.4501 2534389.256 1745508.112 2254588.924 501524.7128 331781.7852 1081284.71 2706810.654 3561376.089 2188687.543 Asparaginylalanine 979534.3709 541287.4344 534826.5566 979534.3709 1161027.414 1073297.797 575587.7534 206646.0622 539452.1945 1257536.129 1033690.37 1431597.548 306987.8638 363154.2458 116677.7735 1020492.786 786004.1443 907625.3232 198853.1067 143811.0678 500198.4376 1278086.973 973454.0822 1153972.695 Cyclopassifloside I 2079147.379 1153236852 731751314.3 2079147.379 2144658.299 1921287.377 692228465.2 702789961.7 672278521.9 785464.0746 1924823.916 786717.5665 1109595418 682286753.4 649345387.6 1064156.05 719551.2318 1768233.528 614868382.3 516424344.9 623333458.3 3210555.378 714488.3668 1902896.202 Caffeic acid 3-O-glucuronide 79828216.17 324724255.4 304144390.8 79828216.17 39425033.52 25064251.94 219568086.2 450025394.8 271838826 40510405.77 49208640.18 77754610.16 313925200.9 306533535.1 365523403.5 59398156.11 29325895.99 54413351.59 368550162 411339041.3 384697621.3 69880633.13 45670555.34 30730811.96 Baccatin 1205230.498 2070412.889 4995585.556 1205230.498 17696671.32 37944143.74 31889446.27 457163.9172 3978484.227 20271173.19 37768621.37 22518501.93 29781690.95 613799.0658 4334286.973 3413753.213 21743595.11 33953510.79 36699669.16 2019548.149 152044.7858 24031521.66 51629342.85 60167568.88 2-(1H-Indol-2-yl)ethanamine 1252028.611 279771.3873 291413.6813 1252028.611 548334.3313 1357201.348 288539.5323 173297.3001 622369.2021 887564.5322 1842119.846 979637.0185 190575.3869 421922.515 243945.7363 2933297.274 1244865.076 777557.0403 191812.322 366205.5443 198840.4558 1439662.002 1253399.258 935412.109 Hispidin 3259231.315 137403.1393 286671.3965 3259231.315 1510808.147 934445.7262 157438.8398 139974.7703 455960.1972 2944451.739 3640794.883 1563511.148 63919.37315 562636.9594 433068.2733 2980465.324 2988731.005 1274989.701 106495.3006 123251.2676 265703.4753 1026029.05 2539249.999 1939997.333 LysoPE(0:0/14:0) 2556335.551 6607119.894 5439342.964 2556335.551 3061353.179 3384104.01 4788960.907 3929652.477 4713511.671 3141294.804 2438952.376 3352907.552 5281215.441 3451176.511 3917084.973 5451680.05 1888825.307 2463905.727 4773336.041 4131314.727 5462200.083 2137388 2645278.532 4654643.532 Geranyl Phosphate 698267.2861 1900003.58 310823.5649 698267.2861 1125249.832 1037685.182 2524046.285 2716047.291 2765402.616 796020.9664 1401784.861 547684.5595 1813242.743 2869056.017 3862102.288 2026947.958 780117.7022 887101.4409 1621235.54 1671147.419 5472789.397 2017482.478 1983581.059 1635400.499 Ganoderic acid N 129425.9868 54396.98697 51312.85196 129425.9868 330358.4885 455102.1425 135407.5234 89960.18186 43348.15517 250130.7438 291491.149 550857.4454 276140.8989 114431.1103 166906.6141 347059.0096 40291.58696 188980.038 178927.3192 56524.58407 210400.1552 199077.9832 110019.2367 297866.6561 Dimethyl 2-galloylgalactarate 7920464.87 3009089.161 3794452.772 7920464.87 2656827.404 1495815.275 2266755.35 7027510.772 2008815.935 1342835.807 3010867.967 1386244.356 1811450.893 3159989.397 3287146.527 1767271.362 2045458.144 1010276.038 2389095.955 3350817.174 3074218.36 2600110.613 1352069.995 2642910.596 GHB-Gluc 46616173.59 56886661.53 98752692.23 46616173.59 30727455.05 20431494.69 50082316.88 60655791.7 55306746.72 20474285.25 33882005.55 22956403.05 34674056.69 72502902.09 56316279.21 15309078.68 18680550.66 12626152.18 79910570.58 144578696.6 132218837.8 23338965.99 28830088.68 39369880.1 Polysorbate 60 760397.1564 11938361.19 7548033.199 760397.1564 1666715.092 1889833.857 9812130.554 6129406.547 7670228.992 1612346.794 755412.2546 1978363.448 9737294.817 4126129.376 3870168.293 959621.7585 401258.6778 499102.4479 6483899.717 9850310.462 7372228.66 673270.4629 1241777.12 1129264.634 1,2,3,4-Tetrahydro-2-methyl-b-carboline 4104485.365 3272754.909 965320.7527 4104485.365 4761282.227 3077682.649 2042088.048 983762.9601 805885.2919 3837059.065 4052839.587 4929114.33 2820516.963 1094478.71 1317935.934 4477823.163 3809938.558 4100335.886 1506863.448 1033451.217 1803501.525 3982459.629 3849738.514 4744522.511 Nicotine glucuronide 818731.1703 5935143.935 3152420.335 818731.1703 65266.03814 202317.3003 5790325.098 5156678.232 7489187.162 202054.3303 382051.4241 256935.1884 5950327.962 7722338.052 4612441.818 200057.1022 61766.25959 470846.968 5337715.992 3610450.394 4126697.962 1257678.838 1535620.088 365940.0102 (+/-)-Ethyl 3-mercapto-2-methylbutanoate 689928.8337 845341.4575 998216.3171 689928.8337 407871.3856 386213.4704 1573365.755 879389.8423 523110.1029 401378.4104 942165.0021 513415.6851 1019889.528 1079856.102 1853982.874 502123.6607 398194.2253 547433.579 832782.2874 1375554.171 1175060.983 564592.1556 883192.8804 702602.0767 Lepidiumterpenyl ester 22696419.24 3019478.862 56380.89904 22696419.24 42370886.66 34643092.75 208296.9366 159832.8216 1672781.91 19265929.14 7660896.638 38697615.78 2615141.204 2492517.668 2417597.057 23983963.48 29306797.1 22795527.63 1898918.83 26597.0557 2799512.84 15200670.41 4297209.311 28465601.65 alpha-Tocopherol phosphate 2287971.777 1774990.486 1906989.718 2287971.777 1424623.48 1435686.706 1497104.527 1372674.093 1232281.746 873557.6948 2244530.105 1244095.729 1104567.776 922135.1424 991965.948 2362600.748 1609980.698 2618596.264 25829.46854 685374.3317 1028545.612 2393652.895 4965388.846 1535354.74 2,3-dinor-6-oxoprostaglandin F1alpha 481330230.6 22902483.28 55179244.89 481330230.6 354722746.3 389732361.2 46358765.06 87730427.48 28570787.09 312776507.1 198563229.1 382476840.2 35222567.91 42333246.98 49818624.64 332021801.7 319842198.3 284005440.3 24310547.77 28110776.19 15606375.07 260980183 187623702.5 293522841.2 Inecalcitol 6576842.889 6607119.894 5439342.964 6576842.889 6632639.934 11321557.43 4788960.907 3929652.477 4713511.671 9420476.904 14182939.22 13992792.58 5281215.441 3451176.511 3917084.973 13241333.69 7588158.949 10183752.49 4773336.041 4131314.727 5462200.083 14574338.71 22189540.61 12004465.14 3-Hydroxytetradecanedioic acid 47744592.26 2302205.201 2672097.217 47744592.26 46398524.77 68392456.64 3917017.664 3897457.755 4269691.944 49094176.45 10366152.12 36433671.11 1870969.64 1812673.858 2331456.721 50873868.78 42513120.51 37666527.97 957126.6113 3472689.56 1699050.707 26659514.91 20552219.53 20763900.94 Milacemide 2363381.559 1847814.319 1078016.454 2363381.559 3033180.146 4246052.912 426010.8401 1046851.843 1617676.788 4069510.355 3129966.823 2226454.115 613922.4848 874308.0711 289432.2055 2505537.224 1465598.807 1905197.857 367509.2969 804015.3168 117704.9218 2245648.373 2443521.414 2293799.431 Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside] 5034473.974 2887681.282 1836248.861 5034473.974 7163938.845 9519185.172 1330606.282 2339401.299 2015063.85 5714184.181 5894356.511 5514819.403 3129223.284 3164101.574 2435825.343 7562374.662 5267882.333 6104417.498 1877214.151 2069201.781 1739919.076 8667618.01 5465289.5 5810858.861 Schidigeragenin B 9451757.682 374494.8568 3870392.924 9451757.682 20595967.25 36161592.07 905496.2036 88691.09602 2480684.196 23003046.7 18138000.22 21257369.5 1197923.49 228238.4938 3251622.409 18877272.06 38132440.47 33337046.04 1072756.908 192420.1248 29697.52022 48117903.99 90756964.51 36844353.92 Cyclopassifloside II 3617897.071 796589385.4 527134549 3617897.071 5091395.721 4831351.864 140600223 520415523.1 261601502.7 7132622.002 4566450.303 4286368.395 497939000.7 61190639.46 169108523.4 6767817.286 3601412.65 4396438.007 134391147.7 1275760736 852475641.6 5130000.377 5445400.933 6797090.683 Gingerglycolipid C 400708.7545 546764.9135 93573.89946 400708.7545 1530878.827 1988892.566 666542.5501 587584.0472 330368.1765 1264364.501 252277.5544 1243282.116 1491729.241 233446.4726 450118.7309 2685634.431 470013.688 1362473.713 1021667.137 228471.1754 396898.2491 1920116.844 871253.0686 1811658.742 4-amino-4-deoxychorismate 2643138.178 1793441.11 1378941.342 2643138.178 2098881.227 2046809.231 1263656.188 3562230.793 465024.9077 2356075.337 7846675.075 2909667.308 1757743.543 2365092.949 1357032.989 3148107.265 2066556.759 1104238.515 870572.7503 1251077.951 1357537.016 1855337.419 1982474.725 2843989.576 alpha-Caryophyllene alcohol acetate 21827441.21 162830.0746 625320.2279 21827441.21 7298723.752 8993758.255 496861.9869 463533.1138 372637.16 6946445.063 2592012.859 13182348.03 109399.2984 631897.478 521680.1956 6876238.383 15016676.36 10781070.37 136229.6169 633918.8122 315377.8963 10436819.13 1923724.417 12106556.07 2'-Fluorothymidine 556652.8886 1538550.443 2230931.344 556652.8886 1045085.729 940085.7707 1532512.682 3463893.773 4052665.4 1412522.814 3554875.516 1401060.976 2433309.865 2028432.027 2327753.006 1306362.75 1212355.464 1695575.454 2238922.337 2823552.734 3214900.434 2223472.634 3601378.713 2152455.755 Clofarabine 386108.4002 1497631.096 2257126.502 386108.4002 536811.3506 271362.484 2655389.746 2130958.219 2862559.161 466169.3359 625010.7787 441307.2129 2450868.787 2062108.226 2093331.017 761613.443 403952.5643 611543.9025 2785809.427 4429015.258 2609710.05 597257.7175 1405945.555 952408.0015 2-(3-Mercaptopropyl)pentanedioic acid 7978240.097 2609897.366 1891055.433 7978240.097 6547757.867 10571277.52 2077511.219 2365938.134 2754783.84 9917992.324 10055676.49 6427464.998 2262446.935 1154271.67 1755133.21 5354935.257 7430965.016 14071085.8 2575482.978 2323769.62 2571888.671 9826069.769 12544970.87 7759083.97 Irisresorcinol 7155875.748 1375677.507 955200.8423 7155875.748 6214979.42 5629588.748 130537.034 40393.3969 1346456.047 3115229.187 2499317.728 5286944.29 1328052.429 1031275.428 780800.0354 2264240.125 5966270.726 8767179.112 2167775.645 2188167.857 2360457.393 2679923.307 2698642.173 5002934.986 11-Dehydro-2,3-dinor-txb2 193312149.1 11259437.45 19900821.67 193312149.1 67606179.53 74971893.41 18823509.96 40627297.44 12468685.44 57720412.56 47470461.05 56587248.6 21175084.04 13712267.49 22101960.12 64372945.85 69719094.71 71544621.18 18215168.48 17376703.04 5695773.607 53667822.05 41015089.21 52787149.28 Macrocarpal B 113731.5825 132925.1956 38610.52677 113731.5825 55136.37666 397475.7248 296335.0466 86116.0837 360632.9875 92135.73139 448035.4159 104145.9903 299403.2466 184974.0147 146643.1171 133371.6538 611670.1624 639900.4099 324190.011 429259.5691 185320.5059 125777.944 595583.4841 351765.6637 PGP(18:3(6Z,9Z,12Z)/TXB2) 4104485.365 19149665.68 17596700.97 4104485.365 4761282.227 3077682.649 16722551.11 43604821.88 20453132.97 3837059.065 4052839.587 4929114.33 33049103.9 21273841.49 31868435.07 4477823.163 3809938.558 4100335.886 19504326.54 25473289.38 18415817.01 3982459.629 3849738.514 4744522.511 Sorbitan laurate 1014658451 2907459.891 23185878.54 1014658451 948765810.6 1422483767 16008867.77 10886270.52 7165291.12 919864265.8 427864255.1 1354107304 4270370.09 7198755.316 7386643.892 832099978.4 1107927206 991538617 654752.9261 4091880.293 2504899.114 658922828.4 814444472.9 929407373.2 5,7-Megastigmadien-9-ol glucoside 20662540.7 2552817.903 6815629.778 20662540.7 34659269.73 39477690.79 5659943.316 5012332.791 1961651.877 35487730.15 8500475.591 36778309.79 393315.4135 4286901.191 4730096.762 27851142.33 36159361.9 19451262.26 591386.0229 839613.6632 2870424.921 11447632.77 12174533.36 19849500.63 LysoPA(19:1(9Z)/0:0) 6589164.66 17856300.71 31779279.67 6589164.66 7807103.126 6479113.577 16975547.98 74378919.28 24568799.24 10414269.6 7266741.535 8729003.854 26618931.85 15944012.67 34752761.21 14739004.7 8684348.833 8998332.603 22570079.69 49917119.98 23125043.71 7794724.872 8565725.84 12708995.21 N(8)-citryl-spermidine 4790603.904 6087113.84 4380886.31 4790603.904 4977287.378 5136029.924 4143698.836 3021813.963 5437672.813 5131621.162 13948068.88 7141797.351 2756155.798 2949498.524 1895517.782 4224555.722 2588279.582 4858374.653 4108203.632 2265622.773 2989317.137 3874510.705 4784385.213 7332509.771 9-epi-solanioic acid 722448.2934 14028192.49 10163474.88 722448.2934 992034.2367 1529762.293 9073392.057 7930056.977 10176828.32 2096392.368 1230294.868 1219814.377 10635612.58 9116316.058 8999103.347 2246316.469 734952.8232 213998.9376 8889908.148 6577124.653 9669059.749 448772.2366 1505510.425 2459335.009 PGP(16:1(9Z)/15:0cycw5) 654702.6771 3878246.509 3244567.192 654702.6771 91249.52534 687248.7585 2822148.907 2902697.168 2620623.069 750795.8493 930653.5987 524510.699 5262353.01 4080094.72 3451339.401 1163564.162 778842.3341 873288.7175 8353020.718 6022648.389 4856712.585 1057910.469 923622.0003 50500.45405 PA(12:0(3-OH)/12:0(3-OH)) 6677310.265 1134114.184 1741572.064 6677310.265 11197284.37 10997240.78 4363776.924 1705338.04 2120632.191 8846585.588 7438438.182 11141415.13 2498718.853 1483930.431 2296895.305 9284737.424 12432523.66 11577187.33 1603772.634 1289163.717 1630377.549 12334335.09 10962663.95 10661141.34 BCA 1 13707805.09 83395.47582 133613.0116 13707805.09 12947495.93 7271717.568 2060127.599 267583.9249 1342654.665 9299501.413 4497688.285 13887169.84 1533543.654 72586.46801 38259.31699 5354904.267 9157168.384 13443583.06 1007537.246 1371840.058 54996.79806 3456538.032 2064798.4 9756032.767 Ficiolide I 570440.9856 5662167.367 4966738.37 570440.9856 1037798.477 1644159.192 3977978.371 2431753.944 2987511.851 950419.8783 792816.8801 486136.99 4210061.713 6299064.237 4064604.268 1495455.773 366059.7212 847249.8681 7615968.747 7523909.274 7009815.674 308684.7865 1041841.754 1048351.794 Polanrazine C 5978003.761 1957389.674 2077618.675 5978003.761 3611632.764 2521929.183 4308938.783 2031267.041 2251836.403 3344647.779 4742277.081 2762516.134 877694.9779 1134529.058 2910631.011 3526340.373 5046744.116 3857635.7 740548.2637 991874.2234 1912135.874 3153866.472 3196318.559 3271047.138 PA(12:0/12:0(3-OH)) 19313509.33 4776640.955 6571670.639 19313509.33 27661230.16 22458932.31 8270439.708 6854796.854 5189904.317 19629988.74 19519466.54 23105990.27 5732972.75 5536678.868 7132332.996 28275185.67 35574857.26 35637066.62 5200997.87 5862014.875 5053644.955 31204188.1 32668247.01 24895694.5 PA(15:0cycw5/10:0(3-OH)) 155305385.2 76473604.63 71664421.48 155305385.2 229284166.8 195044069.8 120751924.3 78966215.53 55032830.07 158146941.3 273167890.3 213035548.4 82181974.47 48656605.24 67529868.96 185283822.8 184710816.5 209969087.2 69076990.91 49376254.52 46823702.42 242115684.7 229259882.1 198606285 N2,N6-Diacetyllysine 170575.7277 5631022.898 2513743.193 170575.7277 139946.069 210000.5143 1654467.174 1829624.748 3834553.993 442546.2651 614418.739 368868.7455 3514119.722 3591406.722 1476127.065 211561.2671 54896.41784 345175.5156 3737327.107 2093478.834 4250290.221 187014.2169 63837.60117 224034.0609 PA(16:0/i-19:0) 6699758.942 9556695.444 6969641.624 6699758.942 8386521.365 7767227.865 5903772.284 7052374.687 8461297.431 19332389.76 9889803.962 9611387.186 1765849.24 5280114.491 2877897.457 9051721.546 6165606.758 7107474.576 2898141.129 5702568.693 7357404.481 9178035.492 6763926.198 7482130.317 Fumigaclavine G 11778466.08 2038143.453 2122855.23 11778466.08 4764125.993 3704077.04 1774941.572 4098522.455 812552.2241 4369835.721 1536048.296 5004053.782 2013214.261 1103030.815 2480610.864 3427688.998 5286861.781 4283332.613 637127.8643 1485096.54 1824213.983 3836645.274 1883853.867 3473133.52 LysoPA(17:0cycw7/0:0) 3461472.299 19972077.5 17088885.04 3461472.299 3547793.611 3374194.981 24111044.17 18592965.62 16468515.74 5134695.106 2839199.063 7475915.056 22798634.93 19390225.17 23613911.78 8490101.992 3182286.692 5240149.047 24905252.4 27085156.05 19548982.86 7157472.152 3886718.88 6923161.882 PA(10:0(3-OH)/10:0) 2674445.405 5445430.425 4222433.681 2674445.405 2009102.539 2011177.97 3657306.866 3397448.858 2924516.422 2757674.214 1799319.103 3500935.821 5126192.385 5134963.196 3245087.588 4198870.993 2272684.063 2566035.458 5429748.161 4534455.744 2942054.391 1549189.442 4066099.23 5721293.349 Ficipyrone A 22359050.02 5826597.785 5874302.605 22359050.02 17055309.31 25380098.3 4498012 6518022.437 5744851.772 18677595.39 15466202.55 17019761.84 12845095.84 5878110.127 5072421.241 21219157.25 16515019.93 13051966.84 2975213.152 3636397.181 9272920.416 14155304.67 17483606.84 13674388.58 LysoPA(15:0cycw5/0:0) 4456711.048 2464502.056 2418741.319 4456711.048 5742994.808 7083709.502 2931397.416 1644988.641 2455837.754 6889137.918 3933230.877 5230052.187 1512151.268 1936506.328 2116367.159 8184698.101 3919803.935 8126356.553 2890925.376 3998956.223 2358294.077 7378258.677 7854936.342 9416259.981 Pectolinarin 24277401.81 5119308.494 4328699.376 24277401.81 12423751.03 7863902.767 5343103.098 4645803.537 7178246.471 13067607.72 17334980.28 8212746.125 3252881.771 6538816.965 4948945.376 11734545.27 12939949.91 10690631.49 2554233.157 2187831.116 2655759.931 14721739.75 10717717.41 9894699.074 Oxazepam 81067.62192 6569512.612 10335210.48 81067.62192 748558.3542 969251.784 7985919.23 6296391.192 3170286.506 78007.36937 1128612.178 716171.8196 5524971.354 10530560.85 8832945.388 47720.46983 795724.6512 1077343.559 2335092 8427865.155 9170058.181 1421715.675 1401525.345 1414201.866 Docosahexaenoic acid 838921.0755 325223.2957 2960744.377 838921.0755 1702998.582 942427.8402 5069121.102 660818.3042 269210.3214 2032478.417 2271760.185 1063769.685 204229.2106 1113637.303 4441935.188 1505866.231 912007.179 233576.2174 206694.2576 316754.4212 352778.4962 1010025.06 268421.1603 1456025.441 2-Hydroxyphenanzine-1-Carboxylic acid 8875734.098 4427366.02 6131274.341 8875734.098 9836351.164 7528361.978 4695938.953 5894721.793 1061753.02 5052545.98 8189728.111 8936579.866 1408173.598 6007675.963 5030257.787 10462768.04 7004516.324 5318342.052 4238420.93 5905441.317 8527072.855 5559439.037 4756498.999 6388573.163 delta4-Dafachronic acid 1117013.075 6607119.894 5439342.964 1117013.075 1283336.354 2876309.176 4788960.907 3929652.477 4713511.671 2371556.141 2041259.62 2809244.069 5281215.441 3451176.511 3917084.973 3637907.932 2204907.381 1712191.769 4773336.041 4131314.727 5462200.083 11313954.3 12616665.78 5471947.895 o-Phospho-L-serine 792279.6204 6830148.973 6570090.17 792279.6204 136953.6573 105586.7064 2939587.078 8125506.793 3446925.528 186210.2207 128990.9612 28026.60497 7427535.382 3724174.574 3657757.227 818630.2041 292959.1194 313869.2883 6355023.544 4573908.502 5254374.483 158355.1573 236351.4902 249515.9272 DGMG 18:3 6841924.254 153726767.7 72144815.78 6841924.254 18503849.79 15987315.27 153869672.5 109462176.8 116362553.7 22167495.87 8229421.453 11507290.7 237989984.1 107225407.1 112829538.3 20829807.54 4774692.843 15465479.48 207348702.6 131643483.8 160680273.3 26448278.36 22888564.09 23497172.32 MGMG 18:2 16080822.94 68928895.03 32368840.26 16080822.94 12891571.62 26124661.79 76117370.54 58739961.68 40571256.12 13450788.15 8921547.305 35869580.16 125925044.7 51941934.58 59059635.07 31338896.34 18874743.34 25610870.36 82167463.1 84687251.47 56368629.7 30373539.19 38028093.5 24954360.7 Delphinidin 84130.30052 4574799.599 3892416.561 84130.30052 748558.3542 969251.784 3803092.782 2821250.625 2535512.717 66431.32146 1128612.178 716171.8196 5101984.681 6976144.126 7136284.003 1419821.552 795724.6512 1077343.559 3890839.762 9441998.028 7025116.375 1421715.675 1401525.345 1414201.866 ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE 9933154.781 1031970.242 1408359.738 9933154.781 5759495.363 5553735.106 3169647.421 4384002.218 1616858.178 6447704.104 8817320.049 5594519.606 3205006.853 3537196.968 2969699.074 4328516.608 6701698.371 8879823.081 1211475.187 2426318.406 1778844.433 10943452.56 12296139.09 6607754.966 SUBERYL GLYCINE 3015391.264 15829279.06 18788685.84 3015391.264 2511760.211 2871557.485 14032618.94 13871526.14 16731059.19 4170498.518 3223635.547 1931101.52 18189899.65 15511846.45 15368921.92 2729450.083 2539437.662 3677316.137 19929636.83 12429228.74 15941936.01 3715642.176 5565829.021 2831982.107 LPG 17:0-d4 2274717.572 13287892.05 11240300.38 2274717.572 2823509.019 2489947.337 7576370.33 11464979.18 10416750.37 3219662.118 2696385.488 2937879.294 15812970.51 9686455.201 3636634.298 2441314.619 2882944.743 2157505.1 8864911.406 10038111.76 7151061.069 1760454.412 1045007.527 4272887.371 Ethionamide 775230.3038 1831739.935 1805077.832 775230.3038 1035181.302 816203.8904 3063708.9 1202536.484 2743480.687 1119252.539 1169323.984 548747.9193 1758447.875 1404335.064 2771079.729 828372.9036 139698.7412 957136.4452 1025233.057 2023538.825 3522970.118 2204800.149 1673204.445 1369642.118 4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide 6243306.409 3650215.134 6280628.814 6243306.409 1759683.843 1157352.341 1761601.538 4684304.842 1944415.959 1653503.623 10943272.4 2956279.386 984958.8131 5028809.656 4361497.899 1388787.058 3586115.537 2360251.711 4358923.706 4408694.218 2138573.547 5027489.567 818113.0193 2630381.087 Arginine 1021023.955 2183001.277 1700490.847 1021023.955 1193263.101 743233.0227 1553898.232 1700565.499 2074019.492 1139440.93 1229246.75 896460.5191 1683400.877 2389151.592 1484460.243 1151049.426 1388393.753 1732066.599 1635451.732 1421654.934 1881778.788 2778984.529 1129113.757 1010081.74 CMPF 2677998.545 1886746.774 2538166.617 2677998.545 2052705.21 2403594.613 1341734.485 868468.9082 736624.2716 2262526.529 2852711.472 1873737.835 719367.7605 940662.0306 650749.0265 1634317.673 2127348.157 1611923.868 1118217.484 639164.2545 1092444.672 1422043.421 1169351.734 2652791.848 Kinetin-9-riboside 13135.17222 868269.7171 942109.6726 13135.17222 16503.12157 38406.28458 1510886.432 1069160.349 1509274.283 100188.0402 14491.18492 29040.9022 1766806.595 2696954.391 1572898.864 16540.87724 417296.4475 19345.17225 1553098.297 1523896.149 2308539.556 24155.77077 504930.4499 113148.2906 L-beta-homothreonine 293435.0099 1089233.639 1275966.85 293435.0099 232060.0619 261643.5966 1351188.904 1618692.953 688586.3314 256564.2573 577327.3639 447424.9538 1037556.359 1421672.612 1611455.284 1136994.074 369756.1371 332271.4785 1539557.581 1414725.472 1589687.991 236346.3266 768543.7565 315289.8753 Quercetin-3-Arabinoside 6680437.141 817923.2529 969804.5356 6680437.141 2471381.046 3277276.725 110254.2933 192397.7638 844986.5813 3378936.283 6120449.246 3254610.281 840474.2046 824186.0023 360488.2702 3258767.662 3125584.781 1746954.229 469228.1625 187167.5246 593322.5119 1406866.052 5323200.544 3311909.338 Miraxanthin-V 62291.47191 3895023.535 4745352.656 62291.47191 357945.8884 55890.32778 2755889.401 3625977.907 5301765.111 90128.3175 1188366.546 53109.98113 2147913.426 3417425.298 4346003.864 120193.354 398124.3578 102186.1165 2568769.975 3075206.169 2023645.344 273599.9444 133329.7932 297416.6659 Taxuside 224627.4079 19324799.28 10748700.18 224627.4079 226897.7742 112895.8398 7676748.411 21988110.21 13006923.43 1300513.801 151769.4015 119385.5078 16367478.1 7527697.272 5656977.841 104244.9501 790266.2828 962267.603 11690062.83 10599852.04 15161841.15 1305175.277 1419915.552 1654364.641 Koninginin G 13344779.11 540882.6362 888358.6085 13344779.11 9545641.127 12934139.44 262582.8107 1083369.598 613600.7909 10421310.29 6384968.692 8534230.777 185558.3388 453944.3703 307643.8909 7744018.186 14205911.47 13203435.18 337161.9318 1246672.851 143217.5918 7067626.325 7703766.105 9275928.616 (3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid 7800525.265 16097774.66 11712247.67 7800525.265 6602745.61 6524129.684 10053460.18 10907333.38 16146488.74 6941984.42 7980043.661 6564521.47 12014811.6 18177509.75 14236143.44 6909451.117 5899854.849 6434099.814 16024701.68 20911397.39 14144996.62 7218985.407 8381526.572 6170369.967 Val Phe 8261238.782 13075826.26 6696828.074 8261238.782 6559830.316 7993908.46 4919814.464 3932915.51 10189241.98 6591481.167 4231301.523 2096009.765 4519406.581 5339089.38 3682311.584 5380497.111 3157582.095 3606835.181 3696991.127 2217749.213 3427358.43 3611084.836 4326403.952 4630375.776 3-Vinyl-4H-1,2-dithiin 39199553.84 12893221.21 5904223.622 39199553.84 24717109.32 34838250.96 11856492.72 10820269.05 14742438.92 15504648.2 14047275.53 16730903.33 6648931.818 15486864.97 12973462.43 22536534.62 15607049.25 15072889.79 19283836.19 15550103.86 10290039.66 24038131.71 27134798.01 20746929.53 Trungapeptin B 690412.9202 188651023.4 185002775.6 690412.9202 2636466.978 1554481 252521599.2 147614376.5 148583813.4 2531735.44 3076254.82 1767115.926 272577107.5 160815381.2 164887431 2992030.11 2385688.8 2799211.357 324685731 270852335.2 295999454.1 3264607.068 1595605.947 3115553.961 Guineamide D 1932520.63 5234647.057 2327862.461 1932520.63 3077454.67 1568984.365 784041.783 252706.2482 966491.8361 2630480.017 5623052.516 2481282.709 4310684.699 1590694.785 181937.6474 3181379.22 2909101.8 3839129.95 437553.9069 926558.1475 575297.0839 4266814.323 3809393.524 6349373.374 Unnarmicin C 52593.90476 187641911.8 175741278.7 52593.90476 848163.3385 1109485.561 69608221.1 48227792.96 76368837.79 1334053.471 1291294.845 854707.5229 267449785.2 63022289.92 260414539.2 67118.02306 823077.639 993799.7534 325068513.9 94131956.39 83905853.57 122436.9331 1460943.532 1733034.556 Tricalysioside N 11350007.03 2904326.4 1638511.807 11350007.03 20853367.15 12405318.45 3241144.486 2397471.798 2836430.469 13754268.99 20520957.79 9861536.129 5178452.59 2059277.055 2125793.025 23959742.21 17414120.78 19757109.03 942233.0908 1041020.336 1371076.862 22301306.94 10988238.21 16429912.12 Quercetin 3-(6''-malonylglucoside) 967283.1414 47828086.04 21988510.15 967283.1414 907970.559 1069003.655 37017448.33 7062640.426 19047128.09 150403.0843 1236707.963 896829.129 1483397.619 7646200.87 11491570.94 1429896.839 1060385.881 1213968.21 9839920.47 8899276.687 12506107.93 1544044.615 1318139.79 1527925.778 L-olivosyl-erythronolide B 867798.1082 14688303.72 18857225.97 867798.1082 1000476.225 714319.5052 8780916.777 19123459.53 4611813.269 2598103.051 2745355.012 1265034.287 27074945.91 14266288.9 12763008.68 1055430.271 773775.315 498480.8656 8300288.06 4503019.807 6383391.457 648431.0845 329185.5186 595027.3504 Platanionoside I 4104485.365 12388719.21 9821030.123 4104485.365 4761282.227 3077682.649 21348501.85 13363751.75 12429397.31 3837059.065 4052839.587 4929114.33 22374032.83 15648230.69 8977628.961 4477823.163 3809938.558 4100335.886 22058605.27 20024387.96 25863238.3 3982459.629 3849738.514 4744522.511 Suspensolide E 2596949139 529543188.6 861723196.7 2596949139 1319397374 382304364.8 652660492.8 397989574.8 539142273.5 1604178633 1602841761 2167513252 451270340.8 422782280.5 610109671.6 642063361.7 1895095020 1222911282 702326451.6 827772894.4 1046826586 1071978940 701695012.6 1090672193 Stoloniferone S 8215906.733 2558120.528 28252.66951 8215906.733 11370113.33 14497770.32 514393.7478 65774.70353 75909.4272 19076115.9 17219332.18 17019291.29 593264.4802 225483.2161 1340456.431 12700116.94 19605245.39 15832451.78 379584.9405 65200.5441 51664.43175 24488356.18 22619805.93 20567230.52 Glochidionionoside A 1009055.603 15060992.91 19496885.55 1009055.603 1310402.279 619457.6221 13592425.41 18881819.72 20754371.72 483413.129 1337060.38 1268169.016 66955436.48 17558983.88 8283701.377 1105511.222 811895.4633 476768.2298 27647411.07 21570487.63 35184070.56 1654222.535 18886482.49 538313.9081 Vindolinine N-oxide 426510.1258 101815.4457 112531.7937 426510.1258 296722.2492 473112.765 755462.6287 117892.5338 721743.1395 276436.0652 444243.4749 144100.8189 256162.4577 25291.71502 192930.439 226384.1016 390752.1571 290110.3382 946427.5113 499277.5386 88192.3332 35942.80275 380397.2577 342134.4058 1-O-Vanilloyl-beta-D-glucose 354791.6623 12466574.37 17229898.65 354791.6623 96038.80828 493667.0169 12779965.73 15193867.8 6462489.907 184698.9554 553433.8214 130844.585 14149615.67 11592281.44 12700599.08 387342.2214 790266.2828 137869.0583 14291458.45 13999012.43 20530953.17 1305175.277 628389.9959 479125.5371 1,3,5,6-Tetrahydroxy-8-methylxanthone 3997906.247 180201.0224 126921.6199 3997906.247 665661.105 997878.1597 376067.6781 591094.7934 590676.5027 1406306.498 3421063.648 1257959.599 508747.9284 612493.3222 1661022.917 2051741.236 2343172.895 2022615.154 448524.1875 421352.4887 553447.2501 664167.5918 2215117.468 1716749.973 formycin b 2528953.981 8561614.242 7377908.602 2528953.981 809033.4697 1508849.639 11011956.35 9162015.465 12758418.24 551101.7091 1892142.748 1174827.476 13674189.36 13299932.16 8697081.82 534050.5561 934936.8488 1018716.044 10126313.86 8191345.919 19899261.91 3456660.592 4735773.874 1617603.65 Triethylene glycol diglycidyl ether 13776225.66 13274770.39 11765869.28 13776225.66 8482829.399 10831417.65 9976205.819 14273855.57 10644113.77 10345654.8 16509884.65 10309994.99 8741924.886 12726984.83 9951067.04 15436038.62 13800478.12 13422648.22 10255478.64 11931570.93 11007617.41 12079119.08 14530639.3 13409669.93 2',4'-Dihydroxychalcone 31114640.13 3771327.905 17907443.36 31114640.13 22024511.89 24888503.89 7005942.759 6430260.841 8610721.532 21907148.28 27059225.04 23036854.63 1950533.518 4590523.704 6740506.998 22347089.18 26077850.76 20556309.16 1451871.353 3134349.214 5410843.712 34109081.3 12818745.62 20846113.89 Peperomin F 13512131.28 2411584.97 1692203.753 13512131.28 8363679.567 3984205.057 1714673.223 2050073.62 2412414.788 5078893.589 12108488.51 7157600.667 3379574.369 1806742.038 2911947.154 3132598.126 5088034.449 3367272.152 1802565.066 2378502.838 1747638.475 5441298.938 5147192.023 5152080.466 Eiseniaiodide B 1382515.963 10641649.55 13752446.85 1382515.963 1670153.443 596259.5615 8735949.035 10690570.65 9312984.097 5709688.244 462833.7891 1947162.9 3877313.841 8056512.981 15399850.03 712406.9838 1964920.426 1644493.189 3518704.141 5474621.898 5346225.041 2374167.349 681955.3507 1289069.97 Ziprasidone 1324511.768 1098036.724 770005.9267 1324511.768 614064.9743 942378.4358 1536361.106 1427658.533 1343488.006 941630.399 1156414.865 901831.005 1725309.419 2558566.821 950757.4071 862814.0043 1380612.146 1233804.772 1758266.164 2684190.113 3098540.275 1069459.357 48950.93651 969228.9241 Ancistroquinone D 11152518.04 2437718.955 5598833.087 11152518.04 2676887.787 2385763.782 2389574.652 3857408.286 8444787.472 5074163.647 10147271.47 4155780.158 2162287.331 3118139.787 8605852.328 5033499.756 9136300.001 5255628.717 2767126.792 7072354.056 3276257.513 2494156.303 4971364.615 3248154.961 Tichocarpol A 559238.0934 389699.1945 327309.7341 559238.0934 675562.0064 834370.4113 1010138.291 341327.9294 618137.7126 591755.6887 2096817.332 1035262.421 343586.1546 1175039.506 345564.8441 1959069.376 1208857.046 443733.5185 959383.4413 510150.1093 996162.2582 1196474.955 2434017.379 2272515.538 (E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one 694792.3758 449309.1988 523054.3411 694792.3758 551802.5989 596909.2509 688579.6503 157660.8779 475294.8365 508249.0409 457671.4104 672318.6044 570808.2626 450187.3194 334680.3542 781118.5631 681644.4391 719675.0852 264282.0645 413493.3629 1082364.995 409866.3747 750274.1207 380187.9827 Botryaloic acid 22539996.25 159829.2851 1509328.888 22539996.25 16693179.89 20616432.17 1098717.22 789203.1051 1656197.721 18262854.47 12845059.91 18508766.42 726769.0421 517961.7477 314319.236 20207315.99 18193439.71 15606830.89 130437.102 964456.7261 320096.6573 12139692.46 15351255.53 12954605.45 H-LEU-LEU-GLY-OH 24948617.37 15441664.16 9020016.518 24948617.37 17408404.07 11427435.72 8942513.263 5500791.829 13542809.57 17252137.5 27257499.31 12799520 6197451.55 8177326.883 6323299.055 17339437.55 10091949.64 13313244.17 8185296.981 6004224.802 7409855.909 20135731.33 13073617.11 13040724.01 (3R)-3,17-dihydroxymargaric acid 702347.6021 1130846.917 1041331.282 702347.6021 952384.2528 643352.0898 7335505.857 2044692.003 1272666.437 1390022.298 468727.2191 558132.2825 157582.1873 378984.2753 874986.2351 900600.9395 391775.9868 661625.2394 84310.64626 507535.4945 843696.7921 206514.0912 286172.6389 565375.1927 Indicine N-oxide 4104485.365 20389008.9 19400800.46 4104485.365 4761282.227 3077682.649 7579822.111 15658055.32 13273068.49 3837059.065 4052839.587 4929114.33 16613223.28 14519622.31 11856392.6 4477823.163 3809938.558 4100335.886 10917771.84 10098196.26 8565121.202 3982459.629 3849738.514 4744522.511 3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside 6497416.6 94462024.46 106759610.3 6497416.6 6194578.569 4591524.11 63655783.25 98196974.9 63738391.36 5052275.201 5526420.774 4003676.382 91230998.95 95418903.64 89450527.57 6543421.32 4162119.001 2286610.557 62850979.78 79320704.11 75017770.18 10718072.37 9784387.693 7159864.913 Leu-Val-Ser 9045746.067 10523179.55 6867671.897 9045746.067 9113046.451 10450427.1 5368511.623 3658383.734 9801562.203 8005851.384 9578289.356 7445871.021 3825214.709 5374753.888 3467494.139 5252723.469 3556743.985 4585854.811 6103879.686 4067712.89 5152802.54 5727645.134 7313783.163 6853658.177 Marrulanic acid 306823410.1 40701845.27 68661673.23 306823410.1 460949426.8 606576414.8 66893688.42 104555102 42544869.65 522995885.6 323670521.8 355100239.4 59405041.93 67504602.11 75065463.31 668987018.6 1049002177 560795165.7 33786106.41 39081844.91 29589886.6 517970724.6 256317671.9 387919776.4 Heliotrine N-oxide 4104485.365 15979341.92 17401925.52 4104485.365 4761282.227 3077682.649 5792596.427 14010143.77 9835493.406 3837059.065 4052839.587 4929114.33 16386490.11 12225082.55 10070460.6 4477823.163 3809938.558 4100335.886 11262262 9185507.571 6826744.591 3982459.629 3849738.514 4744522.511 Gluroside 968461.5014 18024697.52 21330656.98 968461.5014 843292.1438 854401.8126 25097409.13 22491670.1 17346004.53 1219094.1 519683.2997 732480.0947 38696899.79 28300046.41 10159754.48 1488217.269 410786.9761 381644.3304 40477503.34 51119173.58 42121051.72 832269.5108 2976109.599 834489.1624 Phe Ile Gly 2376673.827 3441708.818 1335247.771 2376673.827 2256907.399 2598391.513 1042542.358 1070069.407 2379745.325 2874690.894 2077005.582 1573749.15 834019.7372 675635.8587 1001915.02 1914223.738 910187.8349 1267696.574 595280.3183 764561.4827 561705.6927 1577138.829 2275626.199 1592053.352 13,14-dihydro Prostaglandin F1alpha 5840027.874 3751295.991 3682244.599 5840027.874 6554469.149 10250936.02 7715784.163 5056771.698 4941356.174 9767933.028 6717824.532 9340287.664 2742239.08 4318616.231 2688884.719 6504710.939 7412708.235 6863024.113 579106.0348 1341439.765 2708055.287 4165172.825 6009416.501 9227278.906 Macrocalyxin G 11741049.7 5980088.541 9212149.518 11741049.7 13594944.19 7765785.873 9280565.379 8109980.568 5084933.924 12858733.8 12328904.29 6123909.526 4248774.023 4997293.439 15349764.55 23336765.58 29901353.27 17714890.19 2839719.924 4923645.019 3912920.084 14168820.96 10010142.86 12758857.67 Radiosumin B 52354029.16 7003324.688 7453417.388 52354029.16 46677045.45 50574920.67 7131688.263 10744943.45 7985443.139 44191931.14 59248976.12 33732267.39 9146510.558 10025036.76 10719777.95 76129907.95 52854821.66 30535889.23 6250555.893 7353692.704 6199787.173 46680255.96 47176957.72 35755753.36 N-Acetyl-leu-leu-tyr-amide 82684763.11 1765662.796 1363050.516 82684763.11 116199292.8 132141412.4 1771679.631 1428321.613 2221059.092 108782661.2 61808609.97 137217873.7 877313.8239 1176711.619 2566322.762 148677331.5 159289823.2 107034640.6 627099.7824 1860555.946 2272416.078 102955608.8 77940584.67 144474569.1 Pikuroside 31530365.48 22047719.45 20726305.41 31530365.48 13528524.55 10628320.33 10048258.03 19672576.53 48266635.22 14185117.48 31826630.09 17257513.93 19402557.39 39495072.84 27515386.32 12705587.78 24289501.3 27832360.97 23634912.95 27788451.82 22283357.62 26796339.69 17090016.53 18434761.3 Lembehsterol B 977792.8244 47200790.43 48218631.79 977792.8244 2725536.838 2218800.573 59222107.37 37136335.24 100368950 4167195.119 2486225.616 2361217.817 67811034.18 60811262.74 51717854.7 3378615.096 2449095.813 5231692.961 56360754.38 70328947.85 55239296.08 8577291.516 6987777.811 5936831.464 Alangilignoside D 1163880.321 10242542.61 5542556.655 1163880.321 1248012.572 904489.296 523345.9472 6927727.264 1750642.248 168432.189 96119.76349 927022.2075 9579735.875 1144838.346 4878057.157 390877.5259 1004239.764 989304.1754 2170473.418 1652960.419 2278797.145 1125504.143 550787.1703 1136320.813 Pharboside C 40929653.91 158083190 361722625.2 40929653.91 15912944.37 21705524.11 64882783.17 266002330 31808381.27 10293637.89 53263621.84 47687779.16 154280488.1 221088752 116015819.4 26014160.36 50568079.26 48317007.25 72889045.81 86928427.43 104706188.3 18256274.75 15742229.58 14068428.76 Dutasteride 162398.7708 2883880.905 4838968.409 162398.7708 988709.2572 1445421.659 5440235.11 2495135.797 1374576.98 1565536.785 1229559.745 1126013.096 2551991.162 4398653.952 3152474.829 2033336.127 1011167.77 1215750.621 2572542.25 3980958.869 2901700.373 2600645.91 2699595.886 2315897.389 verminoside 162708866.1 18192565.65 20777903.76 162708866.1 116401849.7 38429463.63 19081979.24 24373822.61 47057771.29 89830159.16 127305582.4 111543226 12531297.09 24884358.7 30222173.4 40454496.73 136068171.1 90866250.32 17943007.37 28897378.36 27457776.93 125517444.7 42833571.39 113367986.6 Rolapitant 10616756.77 422614.6568 4344876.168 10616756.77 23731829.01 17368625.68 549287.5357 3564193.32 3162995.505 13024409.87 23679797.48 12434770.34 2823121.915 3048430.062 3492985.078 7589850.221 61627118.71 14999612.15 4706016.263 4147530.104 2920554.43 8131708.302 9097253.874 16020457.27 Cypellocarpin A 32717511.44 2497632.102 4198978.288 32717511.44 14205800.85 8431823.405 2243748.875 2987936.771 4305139.865 11019156.95 18905322.95 13329732.66 3490202.198 5201929.895 3538157.475 6767523.86 23058411.98 11729069.32 2599870.986 2683753.101 2392509.627 27876180.41 28969563.16 16728251.34 DHP-mOx-NS-DHB 8990348.202 2108282.109 1477244.833 8990348.202 11070190.83 10041767.91 1667171.116 2076054.01 3017770.241 5617837.304 7224013.022 5247354.44 5108870.149 1171502.383 1831000.633 4393132.169 4736207.738 2538274.56 2447595.087 1551563.447 2409379.04 7771859.053 6839695.78 6493823.457 Sachalinoside A 279958.5095 2342529.414 2593334.302 279958.5095 484851.1274 686582.6179 2892430.282 3622358.927 4482647.613 728638.4524 403216.3789 184557.2957 2846704.64 2828993.113 3224906.574 157823.9199 609336.1338 666844.3996 6722424.773 8592295.587 5246123.82 672504.1718 230722.8049 220796.6292 7-O-6'-O-Malonylcachinesidic acid 5650308.681 3772442.249 8638730.068 5650308.681 6440519.736 3805072.64 5904829.51 5442188.055 5110044.355 7886802.844 8396785.6 6949063.014 1945742.52 5908780.096 7377667.201 1224527.634 3271983.108 3460997.429 4335334.624 5739805.797 4446723.526 6289627.909 2629478.471 4204475.202 Iriomoteolide 3a 356189.0583 570714.3439 563343.4627 356189.0583 328937.634 1356325.676 667572.6546 649176.1069 680403.4023 412872.4196 542186.7347 629125.0144 537230.3443 778452.4646 802059.7408 925833.5195 795540.858 863338.916 45134.16501 623581.6852 834019.4904 1865320.666 947807.1154 580963.7483 Hypericophenonoside 6459870.921 3069509.313 2060665.961 6459870.921 3697770.342 3401850.652 2395901.527 1259878.213 7726422.866 4301151.273 4419500.215 3583560.562 2381914.747 3360654.847 3436655.69 3741424.699 4055781.442 2748570.896 960839.7632 606242.0679 2860447.314 4502198.998 4532119.522 4176177.48 Ligantrol monoacetate 90491.15186 1160651.337 1829386.677 90491.15186 347705.2709 445984.8839 1786854.096 1072618.35 3947194.278 621565.4855 762238.9795 469693.0065 87271.73285 2382391.43 1418999.626 260923.8487 65664.85535 101609.9397 320741.906 985784.4337 896736.9161 621886.4393 900348.3876 951815.6723 Sinapoyltartronate 14103797.96 3079090.792 4047107.34 14103797.96 3681469.163 6369774.55 3326015.413 4017733.436 4623081.817 8370974.052 15295012.7 7376691.959 3882748.355 7222351.574 2890307.42 9191217.75 7768677.467 5086379.436 3547346.374 4719370.597 6899360.039 6662878.08 13195735.58 9579468.318 Pre-bikaverin 871521.106 832484.3016 477537.2251 871521.106 636325.2229 697988.156 799903.9343 619704.8787 1245749.762 13569.26082 769247.1829 557815.8284 1349971.332 1015764.311 897107.8359 598327.0887 651531.3485 480358.536 1156826.261 730562.148 796140.5631 50914.14262 783571.3589 662191.8159 Fulvic acid 12958459.65 1278298.416 1450309.91 12958459.65 6663192.823 6562140.627 1556529.449 2005143.768 2364253.835 9441537.987 15463891.84 8870369.942 1361051.618 2474577.999 719791.0049 9157050.111 9063685.23 5840024.494 1041212.528 1197607.398 1315384.207 6287296.935 12633709.44 9663777.438 2-Phenylethyl-2,6-diacetyl beta-D-glucopyranoside 59043114.58 1120973.826 1227414.285 59043114.58 54208129.28 55417179.83 699110.4544 2052541.486 1550646.758 43401199.92 32243193.68 58175521.85 2639175.794 2410304.222 408448.041 37444424.79 43776186.24 36240138.25 1044901.222 1727232.711 1997567.616 20683582.2 19239473.11 25423520.6 Alangionoside O 513789.0503 647318.6285 949321.0147 513789.0503 573629.5333 130516.5459 319014.4941 64813.94263 387443.7181 142824.5677 400709.0933 548647.9918 447706.6145 42325.77327 948521.4173 162549.5652 423569.413 198418.8446 31642328.23 23119294.39 27530899.41 192618.3745 164533.812 463208.5469 Irisoquin D 490820.6177 429308.1369 439668.7565 490820.6177 1855093.65 1746544.389 925731.7616 18790.46742 535408.4416 1328837.051 32303.98113 1474914.723 306435.9018 463955.84 670731.8165 1155085.088 1470216.442 2706393.924 1259876.85 2421255.76 1504537.872 369054.1769 131717.4459 2178742.047 Hibiscetin 3,8,4'-trimethyl ether 10195790.35 1127698.534 2547737.211 10195790.35 5071998.264 5174530.62 1972630.037 1384619.542 1723599.892 6098608.438 11941576.66 5976609.14 2549044.554 4000954.014 669865.3313 8261230.271 5235063.124 3871222.1 1351750.419 1743538.821 3550299.194 4526900.777 8264343.342 6928408.569 cis-coutaric acid 9875854.229 776504.928 966644.897 9875854.229 7013694.486 5934445.993 857654.0009 1371118.945 1508845.616 8516177.453 13125340.15 5212732.229 321308.373 2270092.271 501667.1589 9815434.146 6138944.903 3220018.478 1246752.872 1309627.053 1387142.077 4628998.275 8400296.902 6521577.294 Patuletin 3-(6''-acetylglucoside) 23536904.44 13089743.66 13012589.78 23536904.44 6327458.206 4707947.103 10447299.75 9739371.117 15607044.69 11816669.27 10456662.33 6469168.868 6098121.407 10894548.82 19424514.59 6390217.471 11554061.23 5593973.704 7494356.979 12838615.06 10269579.55 6071223.688 5736551.381 7145700.054 Iriomoteolide 1a 3436563.786 728379.3682 2164492.79 3436563.786 4192663.335 4597127.365 747372.1976 1561581.073 1422061.357 4639285.673 9954533.942 4266326.02 1556145.535 1493930.925 793532.4126 10252524.1 4766017.157 5801432.166 861763.2801 147441.3576 1201038.284 4608746.996 10635122.65 11312669.49 3beta,4beta,23-Trihydroxy-24-nor-olean-12-en-28-oic acid 8208565.136 2654186.206 1151131.15 8208565.136 7035729.489 11242558.75 4304682.406 774510.7788 2385359.883 40377511.48 21603953.64 15523894.23 1033471.846 1186575.625 397929.3887 23737595.19 22101863.53 30494850.16 1877027.221 1417128.327 439942.0566 43032776.3 129322691.9 97929773.01 Kuguacin Q 706185.6435 3683029.707 3745107.041 706185.6435 2435528.33 2766140.369 82491.9315 2253634.768 1849008.177 9128681.202 14113110.21 3627599.984 3082236.283 2539476.506 2893633.228 27154499.56 6407979.089 6894644.286 127211.6723 46185.35301 2697718.307 13363031.3 84350931.44 26081556.74 Icariside H1 9810737.677 8694063.953 6537020.531 9810737.677 8175695.112 14081032 5009935.031 7872515.462 17052882.76 6844484.927 8623625.285 7352503.777 16075552.49 9965226.658 4987358.503 6567746.782 4416987.347 4210024.198 9564478.322 5041443.483 8999767.097 5863920.348 10129240.19 3879305.21 Drosophylloside 9923255.962 3643382.34 3031713.596 9923255.962 4626382.396 1617103.771 573767.4627 4077652.033 3787277.842 6279972.9 12429900.51 3541910.839 3843199.663 5599220.214 1702010.05 5915513.28 7177375.183 3067696.156 1908538.947 2884508.054 3677603.184 4326530.822 6741155.442 6070724.377 Gibberellin A8-catabolite 219390.6861 2157408.717 1227651.973 219390.6861 324128.0203 88116.42712 462095.9922 2582220.852 2104819.421 143484.4494 943774.5206 660207.1885 2073790.095 2169018.404 1638736.416 911707.9491 319509.9265 522135.7709 1090263.194 1385668.518 932401.8484 192751.3697 1432036.516 1111160.571 Sterebin C 9318234.13 6731652.372 5617388.108 9318234.13 6498418.38 7391844.587 11834934.74 10420613.27 15540350.11 6874921.337 8188197.229 5464942.289 20309253.2 7330434.865 19114320.34 6823691.201 6081921.126 6408162.919 16279880.5 15121964.95 7570497.272 2746113.127 3910729.383 5510886.813 (+)-7alpha,8alpha-Epoxyblumenol B 113404578.2 2132412.785 2215075.22 113404578.2 54001048.05 54920740.1 2134314.021 9072864.522 3293520.307 47218817.59 27419836.56 75239849.38 4145191.541 3683842.766 3898566.444 68929335.87 104797698.2 75456930.33 692404.5764 1246243.122 2032194.075 36544156.5 31383560.62 43436669.18 Saframycin A 8505955.042 29052127.05 22388680.14 8505955.042 18056472.66 6759982.899 40950770.57 11088973.62 37987478.08 11718140.36 11119914 4363923.599 5280089.15 23257116.09 15807793.09 13271926.18 11646730.23 7408329.544 16953641.39 20713897.22 17076894.58 40014777.18 9802019.934 13832345.1 Saponaceolide E 3811104.399 69169.56409 3257040.184 3811104.399 2851823.727 4412314.322 3315228.42 1732300.841 1820009.132 4826206.031 3604227.127 18806837.41 2695244.323 3804291.18 3878634.955 14160949.3 6142473.546 11855955.95 2098991.016 4527454.882 3590471.136 11673997.9 16508904.21 34971162.86 Marioside 2709325.187 50388020.9 38532881.86 2709325.187 1577019.642 3146296.578 44808014.65 66135718.28 97782526.16 4500217.854 4507650.857 2605637.69 62895515.66 68851154.51 48357707.13 4980522.821 5085821.211 3137613.185 50610256.68 57200100.56 55727725.41 15507801.43 27794939.55 5135188.372 Ixoside 36821234.36 40689314.86 32935688.63 36821234.36 40872570.03 29430419.43 26834809.87 23689314.52 35243376.89 33645604.29 46953099.55 46541249.64 18050148.19 26900536.71 27650218.04 36338087.97 66825829.6 42902744.94 18723371.25 25605659.65 21140477.83 47426333.52 62618979.4 53930218.47 6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose 4764520.356 9117518.736 7171570.071 4764520.356 1440985.218 832512.794 11789327.29 7525117.305 13408946.21 3928187.954 5581795.816 2870662.446 10487757.96 14828523.71 10981189.11 3409426.755 3840772.494 1692747.054 24889294.7 16121289.94 18218375.61 6470863.475 7228947.641 3367357.646 Itoside M 7372131.697 4197662.186 4728939.694 7372131.697 6291479.016 6475117.571 5726191.82 5983294.164 4542140.938 7002912.782 10731060.04 6873564.156 2939344.1 5047021.159 3180336.668 10056529.82 8001570.976 7400211.217 2854165.6 4672789.706 3504460.202 9199235.507 10102772.42 9241598.549 Dracunculifoside H 5488488.103 2127431.846 1109904.076 5488488.103 8035705.875 13057323.14 757978.5734 798537.8373 1244188.441 6719925.35 8058016.179 3630757.584 1129505.566 855871.0495 952827.9683 11704840.96 4226479.344 5562651.113 148449.4138 1187945.596 400609.069 7407166.22 7523852.897 6926411.021 Homaline 1633167.655 2786664.935 2161653.471 1633167.655 1378687.812 1377813.469 296822.0026 1259776.972 190168.907 2651304.569 4712084.727 1939104.788 1828913.318 1054771.564 762640.3384 5099466.915 3060333.493 3728621.406 685549.9849 597058.4079 978767.1578 3112520.962 7976564.663 8086545.477 Myrrhanol B 11570465.39 447338.3718 3324152.091 11570465.39 15092757.73 21258965.1 6874449.24 239462.5821 45920.56452 11534124.16 21709782.19 13560011.46 8384849.754 515114.728 1886153.714 11624636.75 15636246.41 17158092.07 7855705.087 333965.1244 75816.58794 17461343.94 27957278.3 18912954.14 cis-(Homo)2-aconitate 2053138.195 827984.5799 501681.5932 2053138.195 1532721.741 1535914.692 531665.5358 978782.8236 1240387.249 1920048.675 2805020.747 1395557.878 496448.0609 610717.6176 495303.4521 2095304.006 1909615.693 1308788.831 286451.6909 229524.1586 654282.3802 1627154.182 2758851.571 2181880.081 Ostopanic acid 160178476.3 22046197.37 26174957.15 160178476.3 102484663.4 77550217.26 29748011.45 37996347.42 15926549.79 77332038.84 71375745.58 111649430.7 23977268.34 26720756.42 34462342.51 93209014.8 110469081.8 108438762.4 15795765.79 23131724.44 21178707.57 86310591.42 51249793.16 90837210.71 n-Butyl-beta-D-fructopyranoside 6762176.99 5604648.891 5558364.373 6762176.99 3510773.489 3994538.293 8671688.872 4464625.064 3848717.856 4094961.547 8033734.508 3773249.631 3399657.356 6326467.013 6885523.617 5182204.526 6471499.088 6147250.186 3452927.023 5422487.657 5149542.67 4584973.015 7507975.666 4934028.46 6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside 6880460.633 51325176.6 36260192.57 6880460.633 2892257.864 2872250.18 26917702.65 24877276.92 37058352.61 2934900.51 2668503.74 3411643.851 6079012.352 11662939.78 28739896.6 1476498.822 4645344.061 2903730.106 9504720.913 18542920.91 13619037.75 6240644.891 3954861.201 3484022.566 Wilforic acid D 242187.9042 283307.3405 447323.0133 242187.9042 629178.6216 909807.803 187640.9293 374974.4644 449810.4586 1192367.481 787721.4787 651436.7941 220803.493 353455.169 395544.7082 1820019.187 1369388.356 1102299.416 171388.0977 68439.16145 491600.6366 965864.894 1378158.481 1105923.133 Serjanic acid 1553451.169 349396.7906 341645.9272 1553451.169 2964845.276 2389085.367 121887.6748 294419.7443 821802.704 1494664.412 1603917.647 4309436.49 149668.0779 442940.195 421590.5319 2754410.45 3048061.413 4888405.744 121502.1088 530019.8125 558259.806 2894493.236 3220018.754 4123963.14 plakortone N 3343410.516 115284.3218 2477180.216 3343410.516 7856540.367 9497634.12 544586.8479 60695.66124 1271001.626 8991917.183 14274661.43 11876666.52 405904.4092 1266877.676 1102481.623 10000577.18 11818901.44 13279792.66 458970.4545 49557.4516 32141.53016 15431243.01 24946984.23 17467002.84 Allobetonicoside 10795437.13 177861.4402 683209.8284 10795437.13 14999905.37 9063993.593 5084603.178 304166.6646 211242.0425 13802769.46 22739086.9 11441000.3 1925117.139 206549.0058 1859609.004 12344877.07 11280935.39 10763560.42 1610100.305 2396187.12 2341071.194 14547541.83 10210397.9 14303826.25 Phlomistetraol C 7533971.387 13068994.29 3609087.904 7533971.387 111383109.6 224502527.4 258403349.2 10280772.83 5271760.326 82423203.1 268262121.2 141081054.3 265285534.8 16103418.84 5787700.488 2841074.291 158581175.7 286549649.7 231588648.9 12572337.66 4783212.308 91472824.98 446579802.1 318805955.4 Pfaffic acid 72644.16595 5508797.952 5284406.109 72644.16595 536233.9711 807429.4242 4246888.014 3656808.278 3798138.596 751055.0399 455378.066 322575.2984 4401527.555 3797708.906 3664784.96 481021.6162 535210.7801 525849.5433 6602252.974 4457557.147 6339026.924 872315.2213 1176748.783 846764.9967 2-Methoxyoctadecanoic acid 296650.7184 1124056.955 1604265.329 296650.7184 304156.3027 286195.8178 2102178.503 2109673.457 4306881.567 574084.1805 582091.1944 197360.8662 244675.0196 5031922.076 1430715.683 292709.5517 56892.38886 163477.3626 270566.1142 3084370.973 896899.2913 2211714.496 2515845.161 608331.4865 7-O-Demethyl-2,3-dihydro-albocycline 14471454.04 5206581.606 9703139.65 14471454.04 17779661.56 14807567.36 13136798.53 16637375.4 10583907.03 16570901.53 8512077.83 24565604.63 7199310.275 10438575.27 8448380.776 17233737.5 16527863.79 20244446.11 7617208.181 10158189.67 2654904.454 13330564.16 10144106.23 11637167.05 2,3-dicaproin 40798712.6 3029899.491 1749418.539 40798712.6 43066448.73 37475659.23 1859419.322 999693.9479 275226.934 39323184.1 24665951.62 35170179.51 2819077.262 137753.6958 456487.2785 31671762.56 32462192.71 40900550.98 1925083.131 2656012.84 614954.27 22032902.36 21614637.54 32286305.54 alpha-CEHC 1950709.415 1831364.459 1293165.763 1950709.415 2065912.148 3113516.314 1604000.179 1561533.945 1774852.065 2642858.444 2217255.566 2058987.375 1004376.769 1283226.559 1307844.078 2454322.147 1215310.932 1605891.56 1379789.658 1717581.092 1732131.87 2944721.491 5560957.142 3845006.258 13,14-dihydro-15-keto-PGF1alpha 2125440.654 1563549.74 1846707.884 2125440.654 667934.9343 1563753.944 4495434.387 951946.6844 2456347.171 1442280.125 1290106.985 2264138.367 134465.616 261027.5178 839577.7758 2455872.855 2904151.948 2072819.672 825309.9189 543993.0062 840317.6014 1181236.444 751342.8836 1899495.958 Lusitanicoside 5578929.735 1996542.664 6883856.76 5578929.735 10167835.45 7986440.973 2207725.488 60854685.82 18060186.42 8974367.187 12554581.42 7506595.895 4184892.888 2769191.846 10297018.82 10306668.83 16561655.7 6352602.919 1432211.45 1431295.172 845499.3265 5708338.128 8265609.275 6138237.674 [12]-Shogaol 12626428.28 2623653.634 2421830.538 12626428.28 16923429.13 18000633.77 48484.84173 1717664.223 1357998.447 10443086.27 4048478.177 12881714.69 2472623.694 2099718.363 2096908.128 8562689.407 10663982.2 18235807.78 1771460.984 2824791.584 2274878.607 8878639.42 3940391.034 12112755.83 Resorcinin 2737170.048 480558.6613 28876.16534 2737170.048 2183571.009 1508575.753 80074.69841 25862.93699 663624.5032 1146349.38 278804.7466 1915316.12 705474.1803 617119.2281 613773.1734 904127.8597 3047732.628 3163392.475 479815.7041 29723.10925 576369.9712 1077633.874 508079.4629 2085207.336 Chorismate 4638926.077 800601.487 1334487.431 4638926.077 3281074.374 3137566.905 1633568.145 1454637.618 1359749.703 2809689.518 6281034.215 3543952.363 1550043.964 760156.8015 1340599.203 4538754.44 3304237.76 2618056.887 1322852.186 992690.2138 1636591.087 2587456.376 4859118.077 3819934.304 Lilioside B 31908365.39 211739510.5 210686191 31908365.39 21400667.26 38068446.99 168679251.5 274230049 284991596.4 25559608.22 25709876.63 20257015.56 277473665.3 408601045.3 196027134.6 43504332.8 31548852.93 21900787.12 482217944.3 635500417.6 358937928.5 40691003.92 42736572.28 45474.31341 Clerodinin D 510650.825 718621.3881 1610883.431 510650.825 619509.9084 746847.0284 2572578.83 4639577.709 823874.9627 272710.2818 482674.0568 434207.7092 4500825.482 1750881.412 7246936.371 722500.7325 163801.8671 157410.4111 4201835.159 744864.3633 1118215.217 433884.2459 424796.7603 521910.7146 L-Erythrulose 13080451.39 7262153.969 5811955.978 13080451.39 12119633.64 16791788.97 5623671.593 3785029.96 6399243.392 11622139.64 18129024.76 9882504.401 4058283.794 4744802.046 4690353.116 20269709.05 9911199.038 9149122.569 4351767.489 3914275.003 4913273.55 10570684.68 20285276.79 18090987.55 Penifulvin D 5059161.39 5624240.188 9879301.35 5059161.39 4733254.245 5981811.572 8006552.434 5503264.748 9410722.687 6324487.005 4372281.739 6506011.109 4926544.017 4410008.995 6045690.734 5638889.227 5889062.424 4756755.203 3435352.714 4303768.597 3867311.234 4037126.508 6937106.184 5561562.649 Formylfusarochromanone 762793.8231 8307575.314 7319795.658 762793.8231 119622.2906 229112.6755 9448065.708 8512465.334 12478610.5 265885.985 322248.427 250221.6417 8487218.969 11557829.32 6814986.198 373484.1376 338686.5148 2870348.378 8956879.032 8366574.995 8631910.45 1270713.779 1877232.807 482652.048 Prochlorperazine 671572.8576 272847.2292 312403.9876 671572.8576 614580.8276 252522.1992 309505.4985 229907.3883 679179.5008 217729.2703 1151381.373 677440.187 232630.2015 413999.8669 159539.8275 306859.2399 738945.6727 529150.6707 1258661.391 497564.7504 1093603.295 575706.3294 652629.5333 908929.1499 Sinuflexibilin 16631126.21 1366134.136 2122146.491 16631126.21 24546631.77 29520805.78 3055799.415 1942986.038 659461.8103 27480667.88 9047047.607 25924294.84 2128428.268 2161301.093 3457253.045 25424370.05 30581944.08 21560991.86 2101667.492 1552621.279 1268066.473 15036505.46 15977696.46 24137875.81 Flustramine D 5985481.65 2403461.172 2921576.17 5985481.65 5953418.098 4451061.849 4781896.075 2792253.509 4245995.382 4365772.415 7856734.303 4231564.514 2756276.754 4528212.371 2082498.461 9325010.058 7650281.055 6279708.797 1721969.555 2680573.538 2622829.62 8702078.908 4363044.598 6029767.57 12-O-deacetyl-19-O-methyl-12-epi-deoxoscalarin 47984900.66 49261385.39 39744657.49 47984900.66 70266777.25 79705209.23 73649056.5 45060277.09 51253803.42 44661711.08 55346202.92 106677112.3 48678787.93 39051942.14 48914747.23 50478320.47 76534499.5 46536154.86 70470335.64 60200836.67 48217130.02 46367107.52 94990320.28 124821817.4 Paeonolide 16827819.13 9073106.269 8203642.915 16827819.13 8782884.358 13915854.47 6716547.674 10494678.92 9964183.856 11283511.71 23338453.31 9616565.313 8158026.017 11524468.9 6942403.475 11241374.18 13586219.43 12398032.18 4164465.15 7234205.746 9702158.143 10553225.55 13383398.48 11048881.25 Withaphysalin N 10470251.19 809800.0379 439239.0937 10470251.19 11846469.82 15395879.75 239585.2408 2585067.978 2319374.276 14870583.81 16330656.16 11739615.95 451196.0021 721458.3766 1111048.929 22441037.82 15062436.66 11282999.9 1982718.22 1142420.723 2363015.156 12548562.83 22621326.58 25897676.4 Tinosinenside 92115401.47 4912221.325 292687.2548 92115401.47 89208254.06 59713813.26 1543921.405 433110.3907 474893.8092 55906386.88 91921174.69 55243944.91 3037406.506 198185.1721 404363.7409 97796400.42 109417273.8 73570182.13 1905835.398 3318400.73 3018852.39 96555512.83 81807824.01 64641257.99 Liarin 4276304.463 11233709.55 13831422.53 4276304.463 3923085.84 2969224.537 10167913.55 10874199.74 13176915.55 4239845.687 5753311.843 3700929.7 9766786.415 14128002.64 11912173.74 3868363.069 4022212.22 3594500.322 16962523.96 14374796.18 15079345.54 4527086.62 7603147.355 4204467.041 Sterol 7263956.668 380755.8949 49468.32655 7263956.668 5523860.07 4932222.486 76261.13251 1022314.127 1113915.08 5126555.798 1048804.745 8747220.026 154810.3943 252299.6036 632388.9517 5406298.413 10520947.61 7402441.002 1116387.308 950166.8051 160675.9553 2923563.279 2414829.142 6443599.096 N-Caffeoylputrescine 360154.714 1544163.619 1064674.528 360154.714 475641.8602 270504.3791 1638832.137 937568.9356 1422219.701 421022.6239 374616.3465 105193.7838 1069156.564 1530994.089 1161568.536 165921.2043 52559.62733 210302.4918 772894.4711 551653.2518 1026543.452 278782.8628 454382.3719 464332.8793 Xestodecalactone A 2852449.53 1990103.832 2970791.185 2852449.53 1080248.539 1798024.276 800967.4964 4566445.411 3811564.217 1139411.148 3672388.53 1842922.084 2210062.434 3486060.32 1848689.86 2803211.572 1368014.898 795938.7347 1159369.987 2058105.195 1513321.793 1903427.369 2154397.494 1069835.762 3-(6'-Methylthio)hexylmalic acid 799474.5949 2465986.212 3158778.678 799474.5949 853953.8307 1010162.52 2150503.261 3059137.588 3082335.813 1300513.801 1274676.01 772764.8875 1827110.164 5382439.446 3955953.77 1678744.859 447541.6906 962267.603 18646307.97 6011210.693 6823045.827 1305175.277 1244989.434 1654364.641 Kessyl acetate 11707293.16 3134148.417 5327478.951 11707293.16 9744945.648 7703823.296 19047896.28 7928057.977 5056223.004 8944940.168 3351089.177 16544736.53 3837579.97 7835234.206 7476626.693 8367138.953 11695939.61 12029212.75 1918345.283 8187236.768 4293384.365 5806126.501 4653429.087 10528010.78 (Ac)2-L-Lys-D-Ala 5756538.682 2327740.409 1408194.129 5756538.682 5974318.046 6476204.828 1918685.661 394426.8943 1210071.214 6480530.78 6724296.892 4558829.78 822263.383 831292.9153 817746.4434 4784615.188 3260281.916 3567586.546 702860.7465 433406.1927 803710.0252 4518315.771 5360661.916 4838306.861 Kushecarpin A 21683625.43 3477007.452 10449746.87 21683625.43 12632354.52 14968461.55 6413728.132 5374179.476 14328425.35 10152426.08 11004527.79 17354245.96 3134200.316 5894810.017 8704268.076 12515540.31 28201520.28 14050198.06 3232574.556 8826628.413 6984133.631 12026321.91 12673240.12 12009168.96 Lauroylcarnitine 1979784.437 6607119.894 5439342.964 1979784.437 1637245.878 3211378.653 4788960.907 3929652.477 4713511.671 3489874.998 2513022.641 2550201.752 5281215.441 3451176.511 3917084.973 5100530.006 1750584.18 915600.1879 4773336.041 4131314.727 5462200.083 1359684.439 2367789.107 3129124.587 Lambicin 4600074.67 3739476.807 7213584.622 4600074.67 4110958.083 6233739.647 4980648.207 4490905.3 5025212.299 4440557.941 5166469.992 4789826.1 4311674.199 8894357.069 5566956.372 7971999.063 4134466.381 2338074.763 3631174.886 5450394.9 4268602.624 3438665.824 7271939.233 5450007.75 Shermilamine E 3101841.596 9704244.01 9309164.945 3101841.596 4784350.94 5378574.791 5583897.011 11279029.5 4916993.223 4289523.84 4877839.672 4775943.531 7331850.181 9041454.129 9162486.955 7135065.577 5455271.978 4593507.478 4320038.033 3139778.168 4651489.156 5284557.944 4689821.577 5323891.586 12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol 669549.8717 1198278.541 2188829.96 669549.8717 1057563.395 1456333.194 2928657.38 1062630.908 2924833.409 1476582.02 1422497.999 1338696.452 354079.8523 1256107.791 1310228.28 600361.4829 420211.2276 910185.3532 992866.1371 2086953.383 1261827.381 1891202.638 1252469.863 2261604.881 Conyzatin 98168455.23 4912221.325 4253516.766 98168455.23 85090950.4 47412916.14 3824902.691 166019.6019 2921278.372 61001338.68 93890335.83 36469084.96 4040397.9 167045.8796 3316935.05 78647456.91 66882874.4 59712076.47 2074698.95 3318400.73 3018852.39 81106702.25 122971011 66164060.46 Hymenoside P 3229386.468 11148481.33 12363766.07 3229386.468 4353511.124 4678308.975 12521962.31 19520177.49 30066342.1 7678045.874 5442873.691 5974582.57 12279724.72 16874997.79 7992595.332 7283929.833 6304230.649 4086283.864 17499389.31 16890713.24 19061866.7 7206476.43 10396271.64 6595497.899 CARDIVIN C 2747213.333 1698863.636 1824270.646 2747213.333 2309133.6 5690705.5 1937781.075 1952617.673 1334412.65 2712590.68 5076548.161 3431006.079 2426438.059 793487.7169 833144.5313 3576987.334 1100278.225 2159439.086 1940215.578 1535948.405 1591772.322 874690.9918 3695182.444 2644837.077 Kadsuphilin D 17311294.59 2144788.361 1535794.719 17311294.59 18210168.86 8697832.194 1529005.895 3509997.545 4180505.342 11695465.96 26023315.79 10844247.58 4345363.339 2098169.76 2802019.671 16565648.98 17581914.21 10766294.68 2968731.228 1462000.63 3188204.836 16749779.61 20276299.68 16250958.45 3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester 1855573.822 80538.36333 223854.9211 1855573.822 1354173.656 1351048.722 149668.354 108326.9427 303438.4044 2604007.873 2653636.32 1921184.907 296314.6865 271480.9737 312484.9495 2654592.712 2745190.824 2169665.19 139890.6012 269525.443 353671.7428 3031672.188 4951446.973 6128298.6 Teucardoside 43318639.17 6218553.106 4407854.012 43318639.17 24416146.73 14695910.66 3984657.282 6753817.617 4892103.142 20737664.63 90078616.3 25691720.82 2766999.42 5923408.331 5214536.396 26454752.22 25164637.22 21791362.34 2492321.692 5237066.141 2026293.651 33191490.93 16639047.27 17238475.64 pyrochlorophyllide 1979606.134 4469361.391 4241328.147 1979606.134 1381953.083 1222033.668 4308964.105 7879096.268 3647267.226 3013314.024 2428383.429 1868607.248 6427729.714 2630735.301 4706435.768 1975755.751 3433058.254 2193741.468 2062469.735 2451528.606 2933404.397 3184886.65 2439303.918 1936914.748 Isomartynoside 2359676.451 1038898.582 825711.599 2359676.451 5928660.905 1672097.573 400845.0746 1301139.919 359813.0862 2746672.495 7155677.387 1045780.808 1558120.145 180776.9376 480167.0447 3149723.225 2131778.795 3113627.763 792958.7522 619472.2268 803879.5628 3054348.206 2894953.804 3650869.269 6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-pyran-2-one 2797202.537 238660.4306 268023.6461 2797202.537 1732648.154 1833123.974 263565.5941 88508.30246 116912.0189 2409294.816 5389386.152 5014267.938 253527.4694 781386.0449 540832.658 3024119.492 3135694.875 1974758.428 445072.0286 164606.1805 85007.08994 1662736.403 2779033.172 2799974.808 3,7-Dihydroxy-5,3',4'-trimethoxyflavone 18692219.19 6607119.894 5439342.964 18692219.19 12262783.32 4907826.815 4788960.907 3929652.477 4713511.671 10885192.93 15419037.11 18861503.84 5281215.441 3451176.511 3917084.973 15178789.64 29944164.88 14727508.9 4773336.041 4131314.727 5462200.083 5281933.535 12058955.03 961421.9768 2-hydroxytridecanoic acid 687005.2028 732294.8157 1694833.447 687005.2028 500814.4632 714134.262 656824.3982 678977.1811 738039.2078 665212.9559 605406.5577 647437.3552 185538.2576 1433671.135 937821.9047 647112.7658 244487.6026 285518.0319 426005.9203 615250.8434 328724.5671 457445.1857 720064.2802 337970.7438 8-Methylthiooctanaldoxime 1448650.852 875462.8079 564681.0619 1448650.852 1747112.27 2435141.748 131513.6031 575791.1035 840700.831 2495436.265 1905420.788 1457014.571 128422.7462 148096.3813 275418.2231 1469333.465 499176.8711 1158178.73 157768.9964 422911.9809 367482.7914 1205567.403 1282366.147 1210690.842 Centaurein 47336141.68 11260646.31 16655056.41 47336141.68 11933472.11 9831737.585 8457233.348 9013226.803 23356516.96 15385217.98 19811106.92 30825808.36 8676584.262 13107979.88 41291510.51 9928803.213 17311200.01 11861454.88 11380252.37 16647568.03 19143404.15 17574472.24 13791177.42 10631602.85 Deacetylbowdensine 43706603.87 4997357.306 7708392.925 43706603.87 20747241.86 29820911.01 4249944.409 35783507.97 8640986.484 8273671.795 10061540.25 45285778.51 7592340.398 9607348.317 8013572.755 7497904.481 5526560.134 5645797.606 2652251.005 6064194.476 4125030.801 23124246.79 11999937.31 16091940.54 Lycoperodine 1 1401335.039 5683465.889 8464849.106 1401335.039 1194337.079 1366919.767 4704361.769 12020204.97 11616355.53 1725728.784 2744695.481 1683040.719 13535065.17 6332998.074 6482019.8 2810664.269 1425540.563 1470081.202 5068144.334 10704386.64 8930480.724 2650874.277 2299297.407 1324203.766 N,N-Dihydroxy-L-tryptophan 289543.1172 12727626.71 16485515.16 289543.1172 389208.1064 226568.9699 11676671.38 12020048.51 10560496.63 889356.6335 636776.1067 394944.2591 7191858.675 9282118.829 16994096.67 944544.6616 210253.2272 833742.4167 7748336.217 13551752.34 9639490.778 847812.0972 473103.9195 510017.4394 Euphorbianin 2187296.841 1895254.74 1643175.492 2187296.841 4136156.852 1993792.668 138103.7086 1490094.045 1767193.702 1388336.117 1979139.377 2846520.28 1712226.58 1703969.618 1653768.008 1446941.864 2458101.743 1774530.091 1398163.714 1330127.823 1470684.528 4034049.539 1632938.622 1656920.407 25-O-Methylcimigenol 2275068.529 2130523.145 1957289.467 2275068.529 4899772.956 4542709.221 238938.0667 1463523.044 45776.71922 9775319.748 7375272.401 6430436.3 184364.7633 996742.9629 954407.9987 7473282.147 8429083.842 8687574.834 149741.1869 23351.32094 848806.1801 9336236.99 7629167.184 6813973.696 Isofraxidin glucoside 11772668.74 31699332.09 22675214.11 11772668.74 3213268.563 5469225.94 9507889.589 31394324.75 28651635.35 8518133.69 14644775.35 7400891.799 14433154.23 35059374.99 15803061.17 8270458.08 7821081.17 6066324.536 26674963.93 19446679.5 21330187.36 5794794.479 11690141.86 9056171.984 Latifonin 11066894.69 4688731.103 3231053.373 11066894.69 9013894.612 10841636.77 2795494.896 5985259.079 6143645.376 9746432.132 19590567.23 7439727.994 6120371.438 8919799.524 3886077.162 12225575.24 9015289.349 279951.8318 5630166.026 7674703.303 5766232.156 10414256.09 16029780.97 13309737.59 Osmundalin 2775621.628 12977494.32 13133726.19 2775621.628 1558327.132 1274773.576 9831495.86 18381970.7 12025518.18 1628593.607 3444133.25 1645101.375 8987937.665 14769591.73 9337652.155 1887318.495 1177015.923 890115.418 14655099.01 15471242.5 10975898.99 1876945.572 3324115.856 1830400.637 Cycloparvifloralone 21656641.18 2098087.011 1627236.106 21656641.18 28585882.16 49307593.07 1710824.154 2170244.894 2001230.01 25129260.66 13157376.67 23540102.05 3250348.183 1935996.263 2013913.999 42090264.54 25574995.11 24060352.19 522071.1536 616497.2686 1647405.892 22805561.9 39017875.22 22772052.61 Sartol acetate B 437661.4966 426671.0343 741967.2113 437661.4966 623176.5004 1873646.003 411939.6604 243578.9331 415587.3347 1097659.713 991022.1946 890734.3721 406780.0102 297061.4806 242224.7396 608307.06 687016.5695 1021074.954 43169.45703 349232.5759 148409.8537 1148252.865 1611397.133 1876806.797 N-Acetyl Serotonin beta-D-Glucuronide 4104485.365 35944661.93 22595659.73 4104485.365 4761282.227 3077682.649 21163791.58 22974157.38 42345386.63 3837059.065 4052839.587 4929114.33 26589562.62 31329416.3 25905264.51 4477823.163 3809938.558 4100335.886 23459381.74 26308046.79 20328294.17 3982459.629 3849738.514 4744522.511 Bisdihydrotrifarin 21634822.77 6846786.661 5153689.87 21634822.77 45490751.13 27727008.49 55364.62333 4040839.992 4325966.018 17576765.3 10405460.51 26621529.4 3514012.07 4296385.571 3012019.023 13804491.02 18022838.86 27977843.31 3658516.081 4345425.164 4600790.892 10527477.52 5308161.143 18038664.88 Cistanoside E 19906114.26 1835998.597 4729056.353 19906114.26 6790703.344 4979898.889 1804088.595 3640510.067 3762376.14 5966762.042 30787463.29 5730171.594 3607739.516 12656452.97 2806019.642 8297041.094 6968535.501 4925388.129 4836137.117 3725495.296 4192968.417 10485503.19 6947469.315 4211944.267 Cryptocyanin 11907781.18 2335324.723 4896948.342 11907781.18 8772737.58 9428627.467 2601984.847 4564749.912 2358372.09 14847113.56 17944920.82 7905476.176 3885579.696 5211175.078 1419001.871 14602949.29 8622034.455 5293050.143 3192005.678 2917382.063 5042514.462 7010723.997 18249551.82 12225384.39 Kunzeaphlogin D 17088536.98 31076175 35589375.04 17088536.98 4056792.333 15675334.38 39554000.9 28030854.73 46480078.92 5983510.703 30921552.91 3132444.475 34411430.36 73155009.63 32464603.98 6392428.583 35908941.03 6250297.467 49332352.7 85335671.55 49011386.02 11422190.66 91616156.62 2377273.777 Homoarbutin 27851627.79 18657281.77 26045236.64 27851627.79 9338905.092 9563184.686 7461673.601 10828684.38 11647375.95 13389270.68 15563091.09 8343406.525 19604950.16 14214202.09 12103565.45 22998630.84 10657286.39 7751603.891 13990221.23 10784384.04 17784219.09 9654543.788 15135558.53 10621836.63 Phenolphthalin 4002571.779 5380797.068 7282507.969 4002571.779 1834012.157 1400299.457 4763375.474 7629219.351 7071381.404 2060839.471 2550588.066 2743094.636 8838669.843 9403406.401 4863920.356 2486842.176 5366765.636 1199681.087 13526804.51 14143572.48 12835189.84 2947709.632 2216164.424 2148802.161 Cistanoside F 7194917.403 47061835.65 42830986.06 7194917.403 8609284.663 5428718.904 22426294.64 44457953.79 47579055.06 16831190.42 18805182.86 10882693.06 33987131.53 43837357.39 40142151.54 9601224.736 11451314.54 12240287.66 38536666.45 67855061.64 38216842.68 21674224.17 16665813.06 16263544.36 Diospyrososide 42252126.82 6100601331 6117069605 42252126.82 22395211.7 25595790.84 5099872536 4752828188 6853566802 15212607.32 35714511.08 34503497.62 4833746337 8835408163 5935308190 25427860.97 40261736.47 22292121.25 11998422918 12217202476 10571566897 72806270.86 62547908.14 27592464.55 Officinoside D 7123239.299 26239152.82 24539431.44 7123239.299 5008696.271 3427008.034 17564398.43 39675008.45 10700196.55 3267095.56 5360112.267 5578940.882 47249839.98 36118137.92 21325144.52 5383921.99 8278234.356 7692963.758 15282478.72 15475521.29 15058804.16 7040149.9 3193207.979 3791175.757 Aquilegioside G 1120101.717 31883915.95 16839292.99 1120101.717 1008474.061 1344227.104 18544056.95 15319105.21 19076417.94 1567523.183 1226716.781 1124345.121 19956884.98 22098649.67 24902918.7 1868890.757 1051211.496 898356.3443 11678769.78 8032004.475 12668152.29 472277.8808 1648141.346 1884704.189 Schizonepetoside E 44497121.04 27265666.81 20002829.44 44497121.04 82151699.19 94416907.31 19487315.75 22964559.96 22527738.32 54120286.57 31358956.77 51989109.5 26815789.6 18784488.93 29309698.65 90976257.58 49473886.89 45105328.43 17250137.25 15684808.23 33068962.38 49542205.58 59616844.29 47495279.06 Semilepidinoside B 1013788.954 10546452.47 6813038.161 1013788.954 920972.3235 1102032.947 10003131.82 13557852.38 19171773.74 1352639.959 1283279.473 898630.5158 10694786.53 10903500.17 9322348.588 63784.60759 1052121.334 1052998.418 5628712.169 6441383.754 3469343.872 343245.9244 99805.27642 60761.09036 2-epi-25-Methyldolichosterone 3220435.988 542826.6546 343733.5749 3220435.988 2611145.31 4344502.649 801867.9315 278118.3587 509475.9359 8123706.768 6370073.445 6108955.203 181599.1666 402929.8275 37386.74636 12587469.09 5293674.121 6706691.656 639952.2735 199141.2398 63288.27913 7743371.073 18775638.23 18030048.9 Alisol P 15104574.27 862820.3927 1155911.405 15104574.27 9676518.663 10467289.63 1236465.719 1146157.574 2547064.419 18761612.87 5792345.149 18767333.96 93021.85012 1169340.847 495407.0365 10873542.38 9539596.148 12001009.76 339160.1687 98794.67298 94411.18333 13367220.55 16776202.78 21049145.68 3beta-Hydroxysolanascone beta-sophoroside 1301463.511 140726039.6 117409333 1301463.511 3762771.914 7190666.905 172021732.4 126970690.4 258948628.4 4334383.628 6358543.086 4114901.928 128472056.4 165921501.7 193777235.7 3057468.209 1849884.528 3685205.671 176327999.4 139878527.8 122138142.4 70686898.5 27094561.48 18867827.43 Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside 1044193.122 145171815.9 173073741.5 1044193.122 928914.8845 110082.1881 84701841.92 155434783 117775888.9 1329196.999 177614.1965 886970.1026 167735954.7 125811765.3 207109724 568323.2573 984348.912 122560.0216 71572238.06 121889367.1 110789518.9 1554658.348 1065055.265 197113.0045 1,2-Dihydroxy-7-hydroxymethylnaphthalene 4911627.464 662773.9508 1100600.192 4911627.464 2320762.104 2161313.763 1526416.67 873221.5186 1190256.927 3577772.083 5236402.345 3143762.988 761036.4757 927967.0291 1291318.008 3656448.44 2452094.02 2304197.146 1051245.336 1105599.445 1026942.798 2472883.873 4270079.265 2347760.821 11beta,13-dihydro-8-deoxylactucin 15-oxalate 1408878.185 3414700.754 10049442.5 1408878.185 479607.4891 1144578.181 3447737.239 5434630.584 5336235.555 702271.7995 1671879.233 1188687.378 2002569.2 3215465.928 14311321.24 1069499.618 674457.7051 313759.719 1022326.089 8050534.906 6979458.819 520729.8944 2604406.173 1446295.122 Ciprostene 611458.3314 1956143.623 3190466.656 611458.3314 1416341.621 1096847.455 1973279.792 1813678.512 3699649.06 1636594.413 1857781.737 918801.1425 166508.2702 1229059.64 1369402.616 819742.2445 32973.07269 635959.0507 843316.8011 1313063.728 666629.2761 1074884.926 1347470.863 1493610.115 Isoconiferinoside 998882.3901 26737858.43 19813325.69 998882.3901 889409.9446 1118681.981 25258216.38 17004057.04 22939576.69 312376.4546 1192855.49 912465.0332 15962330.46 15737053.11 13885536.55 1553023.187 1084411.663 1235085.089 12418178.64 11959523.28 20176575.71 1669789.826 1458021.99 472668.7927 Lethedioside B 485225.072 5478406.932 12332756.44 485225.072 2683822.113 2978139.952 7639236.544 7397147.753 4996764.445 2197463.382 1612497.037 815955.4804 15106159.22 21572833.79 8930931.144 1555015.553 732965.2835 1593909.078 8299145.192 9498058.884 6824238.468 3468364.418 2503862.39 1976059.546 3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone 80823490.27 3925976.743 193485.979 80823490.27 21122113.54 9739065.147 4541349.912 1112179.098 2599651.538 24322801.84 62162287.83 26057140.72 8175077.583 2376023.353 366174.9972 12498210.25 49894418.53 42198123.71 132854.2194 3567736.272 3200179.787 18502370.29 26952400.9 8456830.491 2alpha-Hydroxytirotundin 305829.0219 3159496.713 3229670.246 305829.0219 363187.2626 738379.0667 3175858.55 4219812.296 8233201.026 233943.7029 480332.1368 246127.2532 3696759.709 8183077.156 3398381.579 831076.2478 930488.3595 127811.8127 6878385.891 6142241.129 6200650.049 695007.4531 2676302.708 635487.3753 Pregnenolone-3,21-disulfate 87904941.81 9421690.821 7599207.278 87904941.81 49739801.71 26700985.76 13344122.76 8185266.926 12949123.15 38278132.08 98080101.47 63440880.53 7282850.555 10835506.78 16674595.44 51952242.45 58907719.23 56476119.9 11557900.85 12082112.9 14349498 59926300.07 45225413.86 41441718.97 Scrophuloside A1 1518944.039 5913146.053 4434784.628 1518944.039 1618276.816 1866754.51 3960005.754 4626295.243 4271093.739 2368457.798 3326811.139 552583.1596 3353877.607 3078324.263 4122886.418 3897565.933 1619812.751 2147471.373 2187819.519 1422810.767 2178122.832 2267254.542 3012795.074 1038737.186 Hamabiwalactone B 2974203.011 816819.4195 776705.2214 2974203.011 510178.6314 829157.7311 1211598.751 2611786.734 614525.9252 407268.2216 189414.5073 1762563.506 1564192.486 575808.3411 715990.8505 1005764.061 2652209.032 1749585.019 2773841.93 376679.57 949753.9605 752785.0891 481956.419 1052748.135 Dihydrosyringin 1255204.898 12369497.26 23004429.72 1255204.898 7409484.329 2356334.398 17616176.68 11976840.6 26919874.01 12973860.36 22129430.74 4584059.657 9528477.652 12980030.4 11951121.24 13865311.38 20886525.22 34380420 5498358.025 12714724.94 30815488.16 4688397.521 7297825.141 11811057.9 2,3,5-Trimethoxy-6-(1E)-1-propenyl-2,5-cyclohexadiene-1,4-dione 607202.21 5782895.004 5582822.011 607202.21 486912.4784 185993.1245 2792231.646 10514287.3 12003890.67 726841.4292 555407.7805 447251.5544 1069554.789 7634943.175 3352940.109 240587.8534 505905.4725 1337665.067 2767879.983 3985222.693 3038126.175 3237758.264 3664825.071 1349695.946 N-Benzyloxycarbonylglycine 752968.7824 2907843.181 8616750.968 752968.7824 840952.0662 977133.2276 2917011.747 2325267.776 4884154.895 116551.1315 1228104.5 770963.5007 2044591.442 8310966.746 4773558.938 1512774.895 798530.8299 1123237.396 2786597.915 7674082.045 5551771.938 1463825.61 1441678.101 1480590.12 Helicid 28307610.76 10321212.33 15432946.11 28307610.76 11793497.79 14083647.34 9709781.483 15793286.42 16820603.24 15067352.87 21435420.02 14673110.93 17305503.2 21398563.22 10258968.25 19533223.39 18103670.26 13049996.49 14957346.26 6939462.2 12854568.39 11592092.02 21437821.56 18985066.29 Monotropein 36637969.79 13305151.43 9569258.461 36637969.79 5887441.018 4366014.927 16198520.02 9312591.152 18430978.02 8694356.893 18313137.15 12450237.78 7952678.634 11725279.02 15988357.86 6887074.061 23302599.53 10277935.37 7486250.718 10633334.11 10619251.63 13539584.2 13825362.09 5523453.232 Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside) 6189869.833 79436.31996 901724.6466 6189869.833 1762715.237 896341.0209 216739.0714 470189.9861 1017605.089 2377511.911 3783837.203 2708204.768 83964.05962 431503.806 758273.7633 2459857.436 3115539.925 1899105.709 104711.6826 667816.7442 1305206.497 1421302.115 3759005.96 2547992.375 Molludistin 2''-O-rhamnoside 1101641.935 7307840.951 6553363.17 1101641.935 1708254.233 1041377.109 17992835.01 7219424.151 11021238.67 1398731.18 2109911.405 1311340.49 5544129.647 5248451.679 7852355.942 603300.0015 1794479.08 1627527.514 2388986.243 5749092.036 5522599.54 2477811.798 1096408.232 1073051.459 Kankanoside D 35021932.67 8955029.497 8625773.896 35021932.67 50919525.21 68362625.06 5784876.065 9843842.136 7007452.707 51125485.59 44917673.08 32130530.93 6769373.624 7179840.173 7084439.182 62272400.07 27698861.11 22860082.7 5771201.937 5912223.731 8351856.246 37158173.63 47247129.3 45128706.83 Tricrozarin A 14590574.59 1013150.598 310220.3869 14590574.59 3783795.178 2705520.487 91237.37349 68654.67239 67295.31488 5287009.232 9404779.995 4571411.471 1445589.659 190879.032 154663.7013 6648038.14 5966632.613 2518600.816 1063848.51 977990.9761 109821.5056 3980900.9 7611239.72 6408379.087 6'-O-beta-Apiofuranosylsweroside 123961.3493 30860530.58 19873830.3 123961.3493 848163.3385 295803.6809 13109648.47 14305974.51 30553624.52 126691.5594 115573.6491 854707.5229 19341662.81 47803944.85 20186747.29 1610693.676 65798.74776 77857.97766 54229652.68 52603485.32 45563240.55 76395.30544 1460943.532 231741.6878 Glu-Asp-Ile 8890961.722 8990947.672 8293451.278 8890961.722 8477248.377 9173804.095 6130929.206 5181933.031 7659003.126 9903365.881 11933479.26 9657420.965 4874473.924 7209570.27 5324670.789 7029272.568 3912999.517 5625335.163 8032257.183 6216144.752 4718098.82 10090707.41 9601865.654 8644384.93 Bispyribac 4990245.578 18561918.21 13069290.6 4990245.578 1597155.25 1490723.149 15208027.04 9031425.258 17422117.36 1806133.464 2547297.634 1606026.153 1289342.875 7824723.128 18526782.94 1930420.512 2161352.27 2595282.089 11511249.96 34804812.94 18528537.08 1937629.343 4656507.888 2316343.263 4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone 9094223.673 52835160.43 42119802.01 9094223.673 22646361.93 13854397.67 57132793.84 22423832.58 40512113.29 14422843.77 19994778.01 5115043.53 13335576.58 30035680.02 26648163.21 23991505.94 16935270.28 14946135.79 16892909.19 20959371.59 22331917.73 43501989.91 13287145.26 16974204.69 Aspulvinone E 989770.4087 1017175.239 832635.1605 989770.4087 998946.6489 1078086.784 837429.7289 1418029.779 1610120.969 683336.8378 723636.3366 667778.7233 1873484.526 1417814.557 1006241.216 999879.2094 531179.0351 728915.1484 1830257.089 1323553.651 1673868.805 771276.6039 15903.15467 618548.8404 Sibiricose A1 802091.6138 935044.9367 3292745.904 802091.6138 852120.2411 115287.9539 881998.3013 1995070.55 2023139.998 1284262.26 1762268.702 915054.1969 561058.2464 1735324.69 1607187.357 1147171.625 1381542.338 1033221.995 2200139.171 2558081.791 2537969.311 1556955.463 821759.6541 1326907.984 2-hydroxyeriodictyol 350998.6687 107987.3976 91219.60218 350998.6687 133321.4101 262960.4485 154882.9003 69699.39056 208876.5878 144556.7553 106881.0495 65264.01893 82457.95098 116571.5827 78097.73539 148053.2454 169764.4945 17548.23705 39732.66747 24579.05211 50426.68658 100820.4769 414161.9768 128577.7047 Methyl-4-O-caffeoylquinate 12598488.67 11010162.88 11433615.57 12598488.67 5067626.907 7163255.527 28306507.08 11479898.76 19217418.48 11468686.92 12057202.7 7012328.459 5625599.103 17199026.44 10537602.53 8100133.877 7893641.508 4274267.266 11101068.13 11136957.82 10609576.24 6383755.145 10873208.2 9117323.447 Plumiepoxide 1082245.033 9168140.711 9824548.203 1082245.033 906429.5913 281453 9329127.888 15639398.73 22284644.86 2353237.779 338249.3612 1519316.087 8324496.536 13342848.1 7226626.869 2744474.951 829030.7819 839722.3029 510907934.5 438610307.5 477184059.3 3915282.556 3470701.672 5485766.302 docosyl ferulate 33251.23276 20073922.63 996145.366 33251.23276 6519967.152 9874632.747 7779075.61 15067400.03 1002890.992 6140942.088 5562203.165 8867816.575 21522759.31 17718834.21 996643.0946 81724.80379 38347.51294 9829818.316 15889627.65 14514519.13 1186106.647 6571288.426 5139041.098 13356471.22 Moracin N 674453.7544 2538926.003 2204074.103 674453.7544 1657188.55 1045064.962 3998648.177 134418.8917 1035944.543 479886.6546 548813.7421 1062373.939 215227.8003 201656.173 1568296.297 879722.7053 2038504.454 713950.1036 695310.665 1027360.006 419025.532 3486995.46 630699.0389 1051498.475 Ascocorynin 1041817.793 74404.55635 182764.3631 1041817.793 690512.8496 780246.1931 445306.7694 161844.0455 356585.1107 702788.1003 1058234.784 487266.8904 187965.3716 509566.9526 702455.8465 1009446.168 1143807.251 516223.0298 22131.36514 166989.2104 741026.6682 844083.2856 950352.0852 796496.5205 Sedumoside E2 7747967.781 8150945.818 4747122.663 7747967.781 7361288.06 5740944.452 8246834.85 9282820.54 6336948.508 6348879.629 7127655.641 6846483.578 20461111.69 9150988.697 5230840.496 7510737.2 7341138.982 6783469.286 14709587.94 12300856.17 15448319.02 580162.1202 12546558.35 7590426.756 Picraquassioside A 13122831.98 26277178.52 19465001.26 13122831.98 10560033.41 7294473.547 16358575.86 26252712.82 43357649.49 9167737.564 11765352.76 5078434.496 14495000.86 32014806.59 22231877.96 6602487.285 9108416.529 8206970.717 22005688.63 22384810.97 19199491.62 7811403.944 10280194.57 7797639.395 Brosimacutin G 3549883.201 262582.2974 1409226.303 3549883.201 7739604.971 12972301.54 757722.0761 1008551.473 859652.9721 5979872.282 7509314.075 2999607.85 1642647.632 1496018.023 795991.4122 10750364.55 6035065.193 3946365.774 932084.2508 772547.691 302721.4246 8786337.754 6710264.024 9670051.172 Demethylligstroside 20375237.45 34860157.37 41729956.31 20375237.45 9999100.53 10947325.67 21328184.69 18286718.51 45807485.24 15248352.24 14413764.89 10927940.73 25962791.48 18506580.9 22907904.08 9317493.893 10596210.91 15418562.18 10255265.45 16376457.8 24746048.24 10707775.91 11891588.45 13934352.51 Leu Ile Asn 13833397.9 9251977.198 5852122.427 13833397.9 11504264.55 8198099.174 5694296.043 2365207.987 11399879.5 9732014.904 14252725.37 10815496.07 4151356.267 6469590.911 2969299.293 11647779.14 7353208.649 7507094.985 4484611.724 3240284.313 5888865.251 13839732.68 9402213.143 9832248.413 Epigallocatechin 3-O-cinnamate 1381993.252 960722.6974 1617717.579 1381993.252 1723728.864 1526147.496 736728.6651 284560.2175 674837.0152 2762009.119 2692712.628 1983007.968 860209.7788 1044597.382 592744.0129 3310144.017 1860571.241 673884.2508 913473.2502 591520.1098 552477.3761 1237940.344 4336259.029 2326367.602 5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 6141407.018 214663.8662 151325.1365 6141407.018 3580825.016 3498374.76 564755.6087 153331.1664 84629.12571 4271616.65 6231093.262 2904934.312 562398.1749 420520.1739 227884.8902 4706478.009 3679625.371 1973933.303 174535.7433 216922.3633 1037346.331 2680383.805 6359972.349 4839536.897 Puertitol B acetate 1606334.724 94349.46278 66912.65814 1606334.724 1712114.172 2247414.967 173576.3947 371958.2293 379781.2397 1071301.598 1826361.965 956377.321 613261.1791 122781.2508 43908.47968 3124520.415 1559593.557 1140270.7 448874.5418 426452.9168 269543.1362 872191.1308 1507882.665 1789176.901 Mollugoside 69336114.07 252870876.4 379509871.8 69336114.07 77571339.91 34170137.56 249376267.4 171259155.5 227793794.1 189928445.4 61287730.45 90973543.89 86665943.39 199881177.9 340264123.3 42309212.96 85115459.79 66095639.41 102647839.8 164949882.1 152219124 99452062.05 48684342.51 66055287.29 Angeloside 2646557.38 10230605.89 13398948.39 2646557.38 6049491.051 1139005.747 12388870.26 9496233.309 20457015.11 8484787.456 14729534.68 4358955.784 9577552.141 14797616.9 8906157.437 8189786.855 16440115.06 16309874.4 5479977.72 9433478.277 22007202.16 5235598.458 8098909.493 8072695.529 Racemosic acid 7619544.423 3223549.498 1598688.696 7619544.423 3372872.563 1564540.15 1361285.641 4136346.046 5288460.455 4512175.375 10777413.72 4461533.233 1915585.238 4333998.285 3177423.533 3983444.229 4489183.245 4239092.08 3002940.231 3634010.894 2772793.256 7307440.99 3110402.164 5583975.756 Disyfolide 12715602.94 7186431.839 5664517.34 12715602.94 14221080.33 7445755.063 4023772.73 4155167.533 4795838.241 11801044.84 23967862.75 11059108.85 4040485.199 129966.8955 2989824.986 17824744.59 10524758.59 9927218.469 2970288.637 3736590.128 4208346.372 36580350.52 29312724.04 16300277.13 Lopholide 6826406.529 2976504.313 2777625.656 6826406.529 8847309.491 4480064.314 2045167.369 2352425.681 200391.0459 6978834.085 12560717.02 6428873.159 543513.641 2199006.647 1386105.206 8148424.612 6263500.648 5132684.238 1368733.464 1794541.896 239420.2498 8933558.391 9974488.311 8239706.547 Ala-Leu-Ala-Pro 557989.2205 276677.2347 129740.5054 557989.2205 361772.2883 426742.521 133065.2058 205336.2621 168408.5407 428956.5863 417871.2637 375987.2012 157096.7568 162084.6545 92701.95519 555670.6981 304071.7271 164113.2562 52621.54867 36755.23629 77962.11424 396485.4534 367018.3048 413621.8634 1-Nitro-5,6-dihydroxy-dihydronaphthalene 8344967.756 216316.4011 2122398.325 8344967.756 805329.3683 8389021.102 1918028.978 502582.7556 3450826.649 4336871.707 2361759.141 14394256.77 713676.646 833290.8605 321247.7736 11154032.43 11900377.97 3656694.91 207219.2728 463186.1154 835695.3955 15210569.69 12724618.65 4419203.755 Leu-Ala-Asp 28805509.59 35525415.68 28678942.41 28805509.59 21201259.9 31797117.46 18693667.11 25482085.16 29910234.97 35008010.18 29265757.42 27753296.81 23893299.74 23284000.52 16223813.15 17477816.11 11296562.35 15171034.68 26797651.54 19418216.31 26100343.87 21683546.79 25245406.57 26546165.57 4-Methylumbelliferone glucuronide 15732614.78 6362863.487 6623213.862 15732614.78 8088716.094 8230038.529 3671912.532 8966680.208 7308406.335 13758122 19775535.27 9036283.704 4386847.565 8459320.15 4936828.1 10924738.06 9256284.415 6964348.102 7439799.11 5964741.734 6776748.614 7590803.823 14690444.15 11366300.24 Tensyuic acid C 18444937.61 2081953.745 1974655.554 18444937.61 15389161.2 12698933.2 859341.4084 3795609.745 1519507.149 14652029.27 18827241.29 15302759.46 4258017.828 5535221.448 1446103.553 22229672.17 14913933.32 11985074.03 1610135.835 974969.044 1427933.019 13882191.09 21705342.45 18948841.52 Polygalatenoside D 34684876.21 9006561.146 8444222.55 34684876.21 38237082.25 18349679.36 12732512.04 7829814.469 8940787.952 38648695 62336916.82 21787731.1 4600877.177 5683146.221 7920421.564 42080096.3 28685301.08 27160223.59 3302508.548 3038538.538 4594066.544 40230448.12 29640654.46 36716956.44 5-Hydroxy-7,8,2'-trimethoxyflavone 5-glucoside 87284193.1 5435756.563 7441194.755 87284193.1 44615808.21 33090762.69 4811076.801 4753941.249 14068746.04 37010223.52 55278008.85 45787235.45 5796768.738 8051349.111 18021822.66 40681110.31 45902039.01 36175066.92 4095912.268 12487123.28 16956995.52 41014649.43 38405617.89 44859628.3 Premnaionoside 4839678.915 85019336.65 69743164.48 4839678.915 3332869.597 4151559.92 64541201.56 98503495.52 45731481.18 5615429.249 3923780.066 7794097.567 85547914.37 55877479.16 57592452.14 3043604.621 3906583.866 6782192.591 52014319.76 41719903.9 55133435.24 2022004.16 2756291.768 2925232.747 6,8-Di-C-alpha-L-arabinopyranosylapigenin 431861184.4 10394799.97 18558491.71 431861184.4 183052382.5 100812593.8 14414639.17 14367124.27 26267567.46 194988090.9 190174610 191135380.2 2136676.479 10338514.02 25337301.94 130955606.7 189483880.4 158021836.3 8952406.94 16899213.66 16626019.37 160297993.7 106365371.5 142847198.7 Rhusemialin B 2449950.846 6684009.129 6416439.413 2449950.846 1750638.745 546676.1094 6272524.837 6144267.012 8052967.93 2437569.979 1646976.493 202249.6061 603949.9881 3127957.208 6443198.541 759313.3508 2079199.137 1058217.28 2585930.662 6968370.514 4321865.665 3872488.583 2139868.188 2181034.182 Gusanlungionoside C 1146957.448 6404700.957 3758388.641 1146957.448 1032825.167 1195225.737 7316197.423 2873247.198 6655189.907 1469300.617 1253950.419 1026766.582 1966090.807 8353693.52 6822518.123 1813815.592 994374.3574 845707.3152 7159824.921 5780526.677 7197638.515 224130.538 1467231.165 1735003.562 Dracunculifoside Q 5933466.414 2846439.647 3484509.924 5933466.414 3799704.889 1057689.408 2368244.193 2716118.55 3059704.571 4448479.586 7055728.517 2671479.902 2752466.05 1569858.019 1848882.228 3408293.66 1380462.668 2616622.565 952542.4077 2825050.378 2528042.835 3261279.949 826134.0167 531931.5549 N-Ac-Tyr-Val-Ala-Asp-CHO 38242168.51 43453145.31 57798232.77 38242168.51 22731101.67 6249851.257 51740606.94 44513499.15 84742288.02 20991067.26 12950208.01 17786867.72 81685642.83 78412957.81 60873917.11 14887461.85 28496104.59 15022787.44 75141083.95 59983086.38 68078601.86 18895613.37 38655978.52 14286434.95 Sargachromanol G 355640.5749 6607119.894 5439342.964 355640.5749 805269.8814 2109622.668 4788960.907 3929652.477 4713511.671 1542976.948 861269.1284 1698700.142 5281215.441 3451176.511 3917084.973 1691842.473 1060461.25 1282093.046 4773336.041 4131314.727 5462200.083 1972123.95 2518874.075 2338965.537 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone 4-glucoside 46708400.72 5023216.748 10168101.89 46708400.72 30195464.63 18760325.66 8967834.209 4785545.908 13868206.28 30578465.99 27956507.47 26111301.3 3427170.652 5299653.557 35751034.21 21433784.14 41256843.87 32560131.94 5075080.958 17275843.68 7794734.801 21736178.74 28271708.81 30300063.11 Glutamyl-glutamic acid 7967232.111 405433.3724 988876.0828 7967232.111 5923556.104 4867656.106 3628701.807 247309.9503 1426270.803 8614501.574 11097856.55 5416421.165 603539.8143 1437273.659 1391656.444 5757137.757 7802549.405 3930495.65 739942.8138 855005.6444 2234114.687 5398707.104 4530511.094 5209430.906 Vicolide C 370826.1869 2100586.717 2182774.76 370826.1869 589817.3458 621128.3484 2731338.047 1586367.38 1538493.543 316939.2613 200899.725 165096.8885 1603753.681 2314203.521 2814889.22 131501.6533 504247.128 577302.5725 2004053.175 1109230.669 1885629.537 756589.4369 84064.76362 235991.9672 Agnucastoside B 311938.4993 7308231.798 6425011.402 311938.4993 190022.1524 181090.2731 6222775.281 5976054.373 5178844.788 179855.4603 176892.4221 702337.3021 7554419.883 10982288.11 8812709.586 266123.0132 763434.322 157938.9729 16597858.6 14613883.15 9778047.954 259022.1696 278754.2619 413724.7717 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside 1217117712 16123400.48 41728117.52 1217117712 751050866.2 539152744.2 28799730.48 15322786.74 109399006.7 979844442.6 888543949.3 894903580.5 6375078.72 18156333.5 49184818.18 675450646.6 1107765082 862573472.1 19123426.87 42690097.2 33090949.68 821600733.1 907226830.8 1208408957 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-glucoside 52703091.27 39450106.49 34378875.41 52703091.27 42340941.82 29097485.87 45514070.72 37674065.38 28443771.01 26981146.55 44345341.22 43961092.8 10794266.6 13703283.77 41801407.44 39785699.05 41158670.33 28430757.19 14169414.18 27607720.13 11264453 35751092.45 25823833.31 30077470.88 Dichotosinin 13814594.98 3198174.508 3386649.758 13814594.98 14558967.29 14258639.29 2653375.4 1850607.259 2025555.679 20470853.82 25661833.54 8386707.635 995118.4229 1139838.816 2504035.168 21720335.36 13287110.82 17129999.41 1645184.659 2713696.222 2527079.663 30341437.61 16259425.5 22287525.28 Myricetin 7,4'-dimethyl ether 3851917.269 687330.8915 547453.0419 3851917.269 2819054.773 2805362.138 217698.2865 139314.401 201133.4469 3568003.517 6782024.104 3214742.074 165816.5767 634204.2854 342835.5783 4333501.122 3052388.575 2403048.615 333331.2943 291421.3151 623439.9837 2937021.807 4895558.408 3907188.406 Lyoniol D 18901668.04 2687135.046 418736.8781 18901668.04 17643933.8 18004006.16 1038931.23 1908592.124 292524.1184 16653238.83 16904756.64 18046519.06 490222.9275 1640411.001 1149163.003 20986528.84 20768710.36 18687659.94 154496.5501 854370.7684 708271.1487 15366388.03 14890509.22 16740543.76 Fenitropan 4244785.887 3835739.209 4819326.787 4244785.887 3045049.635 4518369.765 2625227.392 3116079.946 3827741.496 3977537.739 7213721.272 1398835.511 2211517.814 3202869.195 2497474.741 5330424.848 3296800.026 2727327.699 1503901.804 1892406.017 1614366.749 5106734.907 5995905.186 3211038.267 Xanthocillin X monomethyl ether 30834257.07 4072607.499 492721.9342 30834257.07 37641775.2 21307993.94 3422944.884 2222174.679 451533.2188 25721548.22 30036309.15 42054959.99 3188408.413 2761998.872 687642.3091 27418421.83 29105109.5 18962327.75 1922907.818 2947043.617 3034978.663 25816620.43 25670103.4 22025198.12 Catalpol 4304368.77 5501837.447 3930641.68 4304368.77 1453522.042 2509955.752 4167471.267 4741643.618 3343165.992 3358478.44 4346286.311 3288837.397 4319799.608 4587973.808 4023092.063 3773215.517 4408097.016 3765960.923 2555554.213 3422637.407 3798582.799 2745587.562 3643483.465 3307095.463 Cistanoside C 13109933.03 2331822.002 2752718.933 13109933.03 9304297.75 6844466.083 3481926.57 3252995.869 6237696.539 8583601.148 13312670.31 4851905.392 2202852.131 3157905.711 786995.2306 10513828.96 12736036.12 9483944.316 3319874.467 3406649.257 3576012.517 14128464.43 6283859.429 9131121.615 6,8-Di-C-arabionopyranosylluteolin 24495536 2130908.142 3530560.574 24495536 18707366.84 10430447.69 6638133.053 1836166.345 8034785.454 13917194.87 14467851.18 14629530 1363314.027 1323315.677 5003926.577 13418530.5 16664499 9895515.791 148224.6465 3599165.623 1417236.501 16312157.99 15675112.84 13904109.24 8-C-beta-D-Galactopyranosylapigenin 4104485.365 11379282.11 8670206.828 4104485.365 4761282.227 3077682.649 8500684.55 5613806.468 5780518.74 3837059.065 4052839.587 4929114.33 8855026.143 3909194.541 3805601.235 4477823.163 3809938.558 4100335.886 2941739.357 2534171.132 4407962.886 3982459.629 3849738.514 4744522.511 N-Methylurabaine 2979831.471 4912925.698 2863596.216 2979831.471 2163809.615 5609955.757 874714.7618 4857154.795 3063279.916 2252951.185 1144342.085 1998189.998 4406218.152 4928329.134 2824563.278 3414127.793 1691307.175 2029497.818 2946426.463 1974195.444 2577070.828 4087971.742 2817428.628 3005804.768 Vitexin 2''-O-rhamnoside 6''-acetate 799474.5949 28320086.53 13465825.89 799474.5949 853953.8307 337928.8251 7571197.081 24645538.04 23271741.23 171877.9896 317905.5247 136865.9349 25065365.13 21613294.99 17569246.53 1678744.859 790266.2828 962267.603 19631376.13 19592090.31 17071105.37 1305175.277 475394.2472 1654364.641 13-O-Methylvernojalcanolide 8-O-acetate 377224177 83499020.41 67140986.32 377224177 73162660.9 38126734.06 40472838.1 97639128.81 38691024.5 57552617.92 207813494.1 94898865.86 144070225.8 189991157.6 68709167.55 231987448.7 307481291.2 507638393.9 62827969.45 100660345.8 136265800.5 133192241.6 104564328.3 109777827.8 alpha-Kudinlactone 1956811.172 1245327.354 46712.12447 1956811.172 3911376.043 5092068.918 1217534.711 817382.1966 1458611.678 3820922.818 2487616.176 4230485.802 59328.55255 1000396.349 798113.6247 3992693.156 2580552.304 3236365.525 286881.0291 793036.5651 590967.6397 1910992.194 2852195.111 2960658.831 (Indol-3-yl)acetamide 59285.24494 1353955.08 2439673.402 59285.24494 381550.9837 428731.377 1161929.398 3237283.824 3402963.579 41332.89005 993547.0924 312628.2182 2300577.994 1772985.578 2890516.432 81114.63044 36236.9107 31917.04067 903596.9454 2466667.512 3054363.33 41861.08671 72868.28272 627958.828 6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside 30186806.78 801711.3277 505510.115 30186806.78 13406998.04 26224678.06 697601.5596 126834.1037 596643.2383 14399630.71 26737803.75 11711127.82 155626.9292 267581.7081 4486806.875 17389544.5 15900720.13 14193224.48 121997.7662 743454.7179 1187086.549 25762737.47 22142427.96 14202024.93 Ile Leu Glu 8213425.308 11365790.04 5125673.474 8213425.308 3465579.483 4319413.684 2830603.387 4064209.203 11840374.08 5541886.559 7200130.298 4275713.549 2060338.204 5011398.509 2390074.235 3084682.906 2231744.812 2631645.319 3153056.969 2506988.828 2000552.343 5300767.129 4153218.867 4298675.025 Polygonatoside B 19039310.78 2867781.048 2318403.204 19039310.78 3487587.967 1904444.153 1169110.982 1520923.955 3015161.768 13544664.65 22348964.54 10301540.37 4426164.843 821267.3453 6833780.977 35253617.05 15210146.88 8059333.145 513441.8633 14203368 865809.5579 8580497.881 5614734.264 46056411.36 24-epi-Makisterone A 152910.1753 29934.77517 183953.7792 152910.1753 351386.6638 429205.7744 485774.6897 320986.501 475507.762 321026.5039 600830.6144 595022.4612 526600.3306 334044.7924 141751.854 159565.8275 457985.5064 377495.0552 628547.1813 445008.6576 301827.8493 646221.3777 703760.1837 553818.6551 Thonningine A 3276058.794 1769367.653 521401.5232 3276058.794 2250052.596 2864523.958 857583.6329 1125963.086 1824874.928 3486609.223 4267073.864 2190270.37 646122.804 1782138.65 1374842.508 4583000.083 2688419.861 1869146.982 1437902.548 536972.737 1109472.769 2599193.906 6290091.798 4041434.115 TXB1 19109263.27 27300091.65 22197692.7 19109263.27 20839946.67 29191669.39 35220690.98 19559210.8 29401075.53 22927158.25 16032336.54 19182612.85 18893527.39 15344535.99 14133314.3 16670580.82 18415529.07 17459830.33 18574991.83 10232043.41 16788312.27 14704330.16 13663709.29 19075633.5 Nicotyrine 2828119.045 3098251.347 3816199.108 2828119.045 1278642.243 2748879.617 1257991.223 5191032.297 4730916.188 1621615.474 3355090.991 1759107.695 2561409.288 3472505.397 3065062.249 2877450.907 1366346.533 2099791.648 1222748.332 1435598.721 1765952.775 3661939.829 1555124.323 1267700.984 S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine 46961.13554 22324736.04 18824883.41 46961.13554 533946.3535 167073.647 15721167.96 14287275.55 14110470.01 916074.5893 375056.4096 351358.7319 17632608.65 12614237.24 13861877.63 298423.2411 29319.5582 800697.3743 8775105.516 7279992.141 7771185.068 116558.6298 1083327.244 1041680.852 Lamiide 409516.3153 9783505.905 7991018.283 409516.3153 290078.6404 86109.32269 6235038.508 10797322.81 6937067.425 300309.156 506756.7183 414390.9025 14636359.71 8811328.252 7021594.313 155918.4003 411953.8509 248906.7141 9868538.408 5940693.191 12723084.52 678933.5685 473667.4108 550408.5807 Asp-Leu-Val-Ser 4641453.997 7249910.808 3670579.586 4641453.997 3402908.54 2544184.827 2435029.536 2282290.025 8028197.978 2695135.62 5007160.255 3569318.432 1921405.713 4682817.421 1775211.073 2334099.95 2048844.739 2482805.535 4431995.508 1892730.12 2954755.751 4093267.068 5937469.601 4999274.119 2-hydroxy-1-phenanthryl beta-D-glucopyranoside 2744697.368 408821.6586 255375.3687 2744697.368 3696019.204 4866065.248 542389.6109 668701.2801 400193.8644 4353936.938 4156330.503 885418.993 112967.3309 243025.8179 286776.8355 5992063.08 2060259.849 2911420.219 692933.7085 212264.1617 266766.3427 4701122.033 4068107.585 3782747.848 Shatavarin VIII 39276063.51 6607119.894 5439342.964 39276063.51 51299095.72 42509858.25 4788960.907 3929652.477 4713511.671 27853682.04 38900138.03 28295516.74 5281215.441 3451176.511 3917084.973 54098889.94 25680611.22 30866723.02 4773336.041 4131314.727 5462200.083 40385599.42 47934340.82 38873649.2 6'-O-E-Feruloylmonotropein 14778475.9 2190940.922 3299876.597 14778475.9 9104530.167 8551450.299 1896872.601 683474.1439 5518438.211 8380022.849 11799756.76 9676200.558 708118.5226 1364436.872 1873456.605 9019497.503 16013059.58 9485075 702249.7941 2751723.253 3284939.569 12115613.61 14901769.89 9443922.794 Dillenetin 3-rutinoside 23427520.64 18677072.56 15015413.61 23427520.64 12175375.62 9447479.674 11314449.19 23319496.12 28548546.79 13457962.19 21554743.73 6959006.65 8472041.047 15311577.16 14979078.34 13585373.19 11448978.41 8670925.05 8785351.766 11390040.86 8473344.897 20834931.06 15557994.46 14078409.97 ISOPROPYL BETA-D-GLUCOPYRANOSIDE 924502.2248 1328584.781 939345.5676 924502.2248 886772.9592 979028.2988 825370.4054 922894.0152 2560459.818 919315.9015 1040262.24 841639.6268 478355.0159 1118578.574 1139701.091 1168935.148 990017.8569 912189.7397 9289331.514 10756559.51 8115424.787 107625.3687 58648.78198 1116891.032 4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy- 16739661.39 979038.5873 808904.8902 16739661.39 9598605.915 6080010.389 271259.525 135555.7893 373676.4634 8792047.345 10521776.51 9044941.434 2019294.417 634495.8942 799582.2693 6420591.145 8897603.578 7238095.842 1011294.966 126027.117 1601767.876 7956832.992 5432472.903 6407366.98 Juniperoside II 11311387.6 4671562.986 8099129.698 11311387.6 12363203.7 13822115.77 5611406.87 6625521.772 6583432.777 10197974.26 10010531.64 10797436.4 7697678.056 7826165.02 5542367.533 11210279.03 7719546.158 7007319.951 3653762.36 4120591.833 5607375.419 6109775.744 11642403.25 9216123.21 Scrophuloside B2 7261335.66 17435413.66 12081898.38 7261335.66 5338870.995 2655911.2 8706054.347 13904606.24 14461925.44 4055683.752 7712646.777 3689576.713 8225193.643 12561144.3 12769309.4 4978760.033 4820694.184 4815604.978 8174853.082 7680978.389 7956534.631 14917685.79 6464539.213 8634202.856 Mollupentin 2''-O-rhamnoside 31141042.3 1267216.22 320029.3918 31141042.3 35546192.33 29840042.28 4540506.894 943902.1946 167818.2508 29260564.61 28338194.73 47094951.79 476439.8936 2761998.872 168544.9189 30172451.36 31091311.94 22367066.36 886673.7756 1477646.48 2719104.423 26837216.92 25544566.4 23283071.6 6-(3''-Oxobutyl)taxifolin 10320571.28 1755628.301 1660192.263 10320571.28 11157805.61 9349209.545 4376279.252 119945.1413 2123215.622 6916457.533 11640316.38 6134507.616 1238424.963 485678.4264 1408427.156 8203063.561 9231447.495 8385724.274 715984.8674 876126.7627 1557094.851 7525881.164 9683572.761 7359030.372 26-hydroxyhexacosanoic acid 5528890.567 6482360.204 6337940.05 5528890.567 13764923.76 14886173.67 8250680.56 5195266.754 4816963.148 4647498.696 8321193.686 12430705.39 4643578.214 5559733.701 5890528.665 7158270.57 7086160.142 4197316.441 4059221.842 5501418.636 5440407.805 4864673.225 2732329.646 6517076.746 Methyl myristate 7018673.282 3136281.732 2086025.782 7018673.282 9475098.666 9184656.812 2314272.437 2503770.272 1609163.936 13124421.07 11434606.17 6625733.285 1404293.159 1848845.82 2673950.128 10077055.29 6614946.017 5090555.931 1941897.543 2799326.855 960987.8364 7748104.851 10362020.34 9929130.042 Ser Ile Ser 3088977.012 10221210.13 7250193.589 3088977.012 2690599.087 2214589.804 2572519.606 2313753.736 4584493.096 2422269.371 4170107.496 2279788.561 3339051.124 3786051.999 2028257.125 1922893.584 1415300.589 3985488.805 4871325.752 3533769.778 5856471.372 2416050.385 2833161.265 2553832.97 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name "quantified m/z " retention index KEGG ID PubChem ID Harpagide 363.13047 5.287 - 4678529 Gnetol 225.05589 5.93 - 45382232 Oleuropeinic acid 569.15196 5.139 - - Granilin 263.1289 6.039 C09470 - Smyrindioloside 405.11912 5.843 - 73834427 Astragaloside III 783.45366 7.434 C08924 441905 Rosavin 427.1612 5.828 - - 5-O-Methylvisammioside 451.16118 5.257 - 21670038 Sesamoside 419.11973 5.004 - 3082856 5alpha-Hydroxycostic acid 249.14962 7.14 - 14705651 Medicarpin 269.08199 6.105 C10503 - Texasin 283.0613 7.067 C10536 5281812 Continentalic acid 301.21734 9.464 - - Licoricesaponin G2 837.39175 6.731 - 73157181 Sinapinic acid 223.06135 5.524 C00482 1549091 Soyasaponin Ba 957.50693 6.454 - 15608234 5,7-Dimethoxyluteolin 313.07192 5.624 - 13964548 Saikosaponin D 779.45945 7.052 - 14798494 Momordin Ic 763.42826 6.76 - 176596 Methyl citrate 205.03543 4.834 - - Sternbin 283.06132 8.068 - - Tectoridin 461.10947 5.872 C10533 - Nodosin 343.15529 6.367 - - Liriopesides B 767.42288 6.498 - - Oleanolic acid-3-O-glucosyl(1-2)xylyl(1-3)glucosiduronic acid 925.48032 7.873 - 162642240 Lactobionic acid 357.104 1.406 - 60793 Dioscin 867.47385 7.038 C08897 271916 1alphaH,5alphaH-Guaia-6-ene-4beta,10beta-diol 283.19156 8.035 - - 8-Epideoxyloganic acid 359.13526 5.257 C11649 4490284 Atractyloside A 493.22957 6.411 C17858 71307451 Acetylshengmanol Arabinoside 661.39653 7.624 - - Gracillin 883.47047 7.126 C08901 496769 cis-9,10-Epoxystearic Acid 297.24356 8.536 - - alpha-Isopropylmalate 175.06122 5.537 C02504 5280523 2-Hydroxy-4-methoxybenzaldehyde 151.04013 5.184 - - Eclalbasaponin I 795.45407 6.151 - - 2-Methylcyclopentane-1,3-dione 111.0452 5.287 - - Gentiopicroside 401.10932 5.243 C09782 354445 Cimigenoside 679.40718 6.702 - - Phaseoloidin 329.08808 5.035 - - (-)-Camphoric acid 199.09768 6.12 - 219463 7,2'-Dihydroxy-3',4'-dimethoxyisoflavan 7-O-beta-D-glucoside 463.16145 5.979 - - Orcinol gentiobioside 447.15116 5.492 - - Isookanin 269.04565 5.93 - 91196552 Luteolin 5-O-glucoside 447.09368 5.755 - - Irisolidone 313.07198 6.106 C10471 - 2'-Hydroxy-4'-methylacetophenone 149.06079 5.566 - 81338 Rosarin 473.16677 5.463 - - Asperulosidic acid 431.11972 5.33 - 13935238 Peonidin-3-O-galactoside 461.10938 6.265 - 11454027 11-Oxomogroside IIa 797.46975 6.338 - 138392156 Ilexoside D 765.44373 7.448 - - Eleutheroside C 207.08746 5.02 - - 1,4-D-Gulonolactone 159.02992 1.406 C05410 - D-Glucaric acid 209.0304 1.406 C00818 - 2-O-beta-D-Glucopyranosyl-L-ascorbic acid 337.07787 1.435 - - 3-(3,4,5-Trimethoxyphenyl)propanoic acid 239.09197 5.58 - 64860 m-Coumaric acid 163.04014 5.639 C12621 637541 Tridecanedioic acid 243.16026 7.038 - 10458 2,6-Dihydroxybenzoic acid 153.01937 5.449 C21298 9338 Norepinephrine 150.05606 5.272 C00398 1150 4-Hydroxycyclohexanecarboxylic acid 143.07137 5.449 C04404 151138 Disodium succinate 117.01942 2.661 - 1738118 1-Kestose 503.16212 1.42 C03661 440080 Ac-DL-Trp-OH 245.0932 5.653 - 2002 Undecanedioic acid 197.11839 6.542 - 15816 Moracin M 241.05077 5.93 - 185848 L-Arabinitol 151.0612 1.4 C00532 439255 O-Desmethylangolensin 257.08212 5.184 - 89472 Phloretin 273.07706 5.492 C00774 4788 Urolithin A 227.03505 6.265 - 5488186 Uridine 243.06235 2.352 C00299 6029 Bilobalide 325.09312 5.316 C07605 545839 Pyrogallol 125.02443 1.523 C01108 1057 Guanosine 282.08451 3.739 C00387 6802 4-Hydroxyestradiol 287.16542 6.993 C14209 5282360 D-Pantothenic acid 218.1035 5.11 C00864 6613 Galactose 1-phosphate 259.02263 1.281 C00446 123912 Ethyl glucuronide 221.06666 1.417 - 18392195 Pinocembrin 255.06642 6.294 C09827 68071 Prunetin 283.06129 5.624 C10521 5281804 Phlorizin 435.12983 5.478 C01604 6072 Esculentoside A 825.42863 6.484 - 14132358 Isoquercetin 463.08866 5.639 C05623 5280804 Traumatic Acid 227.12897 6.6 C16308 5283028 Verbenalin 387.1302 5.287 C09802 - Furaneol 187.06132 5.199 C20717 19309 Picrocrocin 375.16628 6.192 C17055 22833654 Dehydroabietic acid 299.2017 9.198 C12078 94391 Isoformononetin 267.06637 6.513 C12125 3764 2'-Hydroxydaidzein 269.04563 6.314 C02495 5280520 Kaurenoic acid 301.21727 9.919 C11874 - Isostearic acid 283.2643 11.287 C20356 21859 Toralactone 271.06141 5.726 C17673 5321980 6''-O-Acetylglycitin 487.12493 6.047 - 10228095 Herbacetin 283.02476 6.254 C02806 - Desmethoxyyangonin 287.09268 6.134 C09925 5273621 N-benzoyl-L-aspartic acid 236.05665 5.478 - 95664 Tetrahydroxymethoxychalcone 301.07272 4.989 - 6478421 beta-Boswellic acid 455.35334 11.686 - 168928 L-Canavanine 175.08385 1.314 C00308 439202 L-Fucitol 147.06636 3.201 - 445724 cis-10-Pentadecenoic acid 239.20173 9.508 - - 2-Hydroxycaproic acid 131.07136 5.901 - 99824 Suberic acid 173.08192 5.901 C08278 10457 Threonic acid 135.02993 1.391 C01620 5460407 Ketoleucine 129.05578 5.828 C00233 70 L-Citramalic acid 147.02997 2.021 C02614 441696 4-Hydroxycinnamic acid 163.04012 5.184 C00811 637542 Phenyllactic acid 165.05574 5.872 C05607 3848 D-Gluconic Acid 195.05106 1.376 C00257 10690 N-acetylleucine 172.09798 5.653 C02710 70912 N-acetylphenylalanine 206.08227 5.682 C03519 74839 N-acetylvaline 158.0823 5.316 - 66789 N6-Acetyllysine 187.10892 3.05 C02727 92832 4-Hydroxybenzaldehyde 121.02958 5.755 C00633 126 3-(3,4-Dihydroxyphenyl)lactic acid 257.06693 5.243 C01207 439435 Hydroxyectoine 157.06196 1.344 C16432 12011795 Dodecanedioic acid 211.13401 8.153 C02678 12736 Maslinic acid 471.34845 8.864 C16939 73659 D-Xylonic acid 165.04046 1.376 C00502 6602431 Hexadecanedioic acid 285.20723 8.012 C19615 10459 2-Hydroxyhexadecanoic acid 271.22797 9.596 - 92836 Glycylglycine 131.04631 1.344 C02037 11163 2-Ketobutyric acid 101.02447 1.406 C00109 58 D-Mannitol 181.0719 1.371 C00392 6251 L-Homoserine 118.05107 1.391 C00263 12647 Heptadecanoic acid 269.24865 10.735 - 10465 Maleic acid 115.00369 1.435 C01384 444266 Trehalose 341.10896 1.435 C01083 7427 Isocitrate 173.00916 1.479 C00311 1198 3-Methyladipic acid 159.06629 5.468 - 6999745 Quinic acid 191.05611 1.42 C00296 6508 Citraconic acid 111.00885 4.882 C02226 643798 Sebacic acid 201.11335 6.236 C08277 5192 Malonic acid 103.00373 1.464 C04025 867 Salicylamide 136.04043 5.784 D01811 5147 Docosanoic acid 339.32686 10.007 C08281 8215 Salicylic acid 137.02443 5.345 C00805 338 L-Aspartic acid 132.03034 1.349 C00049 5960 L-Leucyl-L-alanine 201.1246 4.775 - 81721 L-Asparagine 113.03577 1.342 C00152 6267 Thymidine 241.0831 4.897 C00214 5789 L-Malate 133.01427 1.435 C00149 222656 Isovanillic acid 167.03502 5.014 - 12575 Undecylenic acid 183.13904 6.6 C13910 5634 Tyrosol 137.06087 5.287 C06044 10393 Menthone 199.13407 0.588 C00843 443159 Ferulic acid methyl ester 207.0664 0.593 - - Thyminose 115.04009 4.897 C01801 22833604 Sulcatone 171.10278 0.588 C07287 9862 L-Prolylglycine 171.07761 5.478 - 6426709 Camalexin 199.03392 1.314 C21721 636970 Euscaphic acid 469.33259 9.479 C17890 13653335 3,4-dihydroxybutyrate 165.04094 8.035 - 150929 3-Hydroxypicolinic acid 138.01968 0.588 C18620 13401 Itaconic acid 129.0194 1.479 C00490 811 2-Furoic acid 111.00879 2.153 C01546 6919 7-Ketolithocholic acid 389.26993 10.793 - 53477693 Colubrinic acid 469.33252 10.705 - 14137704 Benzo[d]isoxazol-3-ol 134.02487 0.588 - 210830 PA(18:2(9Z,11Z)/18:3(9,11,15)-OH(13)) 709.44587 11.51 - - LysoPE(18:3(6Z,9Z,12Z)/0:0) 474.26303 8.524 - 52925136 Viburtinal 159.04516 5.551 - 594452 LysoPG(18:1(9Z)/0:0) 509.2888 9.508 - - (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] 367.16109 5.434 - 131753087 14,15-Epoxyeicosa-5z-enoic acid 323.25923 9.081 - 53394468 6-Caffeoylsucrose 503.14116 5.125 - 131751779 PA(i-16:0/5-iso PGF2VI) 717.43564 11.867 - - 7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside] 457.13565 5.33 - 22297293 Erinacine E 431.24424 8.408 - 73082498 1-(beta-D-Glucopyranosyloxy)-3-octanone 305.16087 5.228 - 131751153 Mahaleboside 323.0774 5.25 - 131751353 Ilicifolinoside A 263.11367 5.287 - 131753062 Ribonolactone 147.02997 1.444 C02674 111064 Benzoylmalic acid 237.04059 5.755 - 13953341 LysoPE(0:0/15:0) 438.26291 8.991 - 53480921 Glucose 3-hydroxybutyrate 265.09301 4.744 - - Maltodextrin 683.22597 1.435 C00897 439341 5-Heptyl-3-methyl-2-furanundecanoic acid 363.29071 9.831 - 85564643 Bis(2-ethylhexyl) hydrogen phosphate 321.2203 8.708 - 9275 LysoPG(16:0/0:0) 483.27315 9.051 - 42607483 D-Malic acid p-coumarate 279.05131 5.228 - 45359757 7-(1-Imidazolyl)heptanoic acid 195.11294 6.614 - 173117 Glycerophosphoric acid 171.00645 9.006 C03189 754 (1R*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol 9-glucoside 365.18171 5.653 - 85402711 N-Formyl-L-glutamic acid 174.04093 4.926 C01045 439376 Ethyl (S)-3-hydroxybutyrate glucoside 293.12436 5.522 - 76463850 Ucriol 319.22793 8.474 - 54275943 Glycerophosphoglycerol 245.04327 1.376 C03274 54575349 1-(3-Methylbutanoyl)-6-apiosylglucose 395.15637 5.335 - 74029760 2,3-Dinor-TXB1 341.23344 6.862 - 53394492 Myricolal 439.35839 11.539 - 12313053 3,5-Dihydroxycinnamic acid sulfate 258.99192 1.56 - - Phenetole 121.06588 5.916 - - 4,6-O-Ethylidene-D-glucose 205.07176 5.449 - 18534704 2-Hepten-4-one 111.08161 5.77 - 5463238 Gaxilose 311.09837 5.316 - 19602252 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one 203.0563 5.213 - - (+/-)-3-Mercapto-1-butyl acetate 147.04932 1.376 - 6430878 LysoPS(16:0/0:0) 496.26854 9.332 - 9547100 Glycyl-Threonine 175.07242 1.42 - 351980 PA(i-16:0/PGF1alpha) 747.48228 10.365 - - 7-Methyl-2-(2-furyl)-1,8-naphthyridine-4(1H)-one 225.06609 5.857 - 13285535 3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol 251.16535 6.789 - 85213911 LysoPG(18:2(9Z,12Z)/0:0) 507.2731 8.945 - 52927437 3,4-Dimethyl-5-pentyl-2-furannonanoic acid 321.24369 8.474 - 13963865 (R)-Pantothenic acid 4'-O-b-D-glucoside 380.15637 5.094 - 14132229 1-Stearoylglycerophosphoglycerol 511.30452 10.217 - 10029397 D-Ribose 5-phosphate 229.01216 1.292 C03736 440101 Methyl sulfate 110.97579 6.469 C02704 - Sterebin D 293.21241 0.606 - 14396288 Ficiolide G 313.16471 8.346 - - 4-O-(beta-D-Glucopyranosyl)-D-ribitol 313.11421 1.435 - - 9-(2,3-dihydroxypropoxy)-9-oxononanoic acid 261.13447 5.799 - - Dodecylbenzenesulfonic acid 325.18443 8.752 - 8485 19S-Methoxytubotaiwine 353.18629 8.168 - - Phenylacetylaspartic acid 250.07217 5.551 - - MGMG 18:3 559.31302 8.585 - - LPC 18:1 566.3468 9.567 C04230 - Lauryl sulfate 265.14796 7.931 - 8778 Sulfo jasmonate 305.07015 5.345 - - Xanthosine 283.06906 4.759 C01762 - Lignoceric acid 367.3582 10.749 C08320 - 3,7,3',4'-Tetrahydroxyflavanone 287.05639 5.907 - - beta-Hydroxymyristic acid 243.19663 8.479 - - P-Toluenesulfonic acid 171.01227 5.287 C06677 - 4-Vinylphenol 119.05025 5.184 C05627 - 3-DEHYDROSHIKIMATE 171.03001 5.072 C02637 - Tetradecylsulfate 293.17944 8.76 - 5248 1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol 571.2896 9.198 - - Pyrolaside A 569.18843 5.125 - - Kunzeaphlogin F 547.20377 5.697 - - LysoPE(18:2w6/0:0) 476.27866 8.962 - - Sachaloside I 447.2239 5.994 - - PA(18:3(9Z,12Z,15Z)/0:0) 431.22068 8.516 - - Ala-Leu-Leu-Asp 429.23573 5.492 - - mannosylglucosylglyceric acid 429.1253 1.464 - - Maryal 417.21339 6.527 - - 6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate 415.19777 6.076 - - 1-(9Z-hexadecenoyl)-glycero-3-phosphate 407.22062 9.021 - - 6-Deoxylamioside 403.16132 5.714 - - Benzyl beta-primeveroside 401.14558 5.492 - - 4-O-beta-D-Glucosyl-sinapate 385.11452 5.33 C02919 - Syringic acid beta-glucopyranosyl ester 359.09866 5.139 - - Glu-Ile-Ser 346.16212 5.035 - - Tianshic acid methylester 343.24913 7.038 - - GroPIns 333.05961 1.281 - - 9S,12S,13S-Trihydroxy-10E-octadecenoic acid 329.23339 6.687 - - 20-hydroxyicosanoic acid 327.29061 10.291 - - (+)-Neomethynolide 311.18662 6.862 - - 6,9-Octadecadienedioic acid 309.20729 6.767 - - 13-OxoODE 293.21239 7.096 C14765 - TRIPROPIONIN 259.11879 5.161 - - Sulfotyrosine 260.0235 2.538 - - Vanillactic acid 211.06135 5.094 - - (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate 205.0354 5.316 C04593 - 4-Methylbenzoate 134.03738 5.243 - - Stellatoside B 941.47541 6.498 - - Prenylagaramide B 927.4994 7.214 - - Rubianoside I 675.41221 6.658 - - Amurensin 533.16675 5.537 - - Kukoamine A 529.30214 8.872 C17615 - Isorhamnetin 3-(6''-acetylgalactoside) 519.11491 5.33 - - Foliasalacioside H 507.28098 6.498 - - Rhamnocitrin 3-(6''-acetylglucoside) 503.12009 5.872 - - Tricalysioside T 499.29153 7.35 - - Okanin 4'-(6''-acetylglucoside) 491.11997 5.507 - - 6''-O-Acetylastragalin 489.1045 5.77 - - Padmatin 5-glucoside 479.11995 5.828 - - Naringenin 7-O-beta-D-glucoside 6''-acetate 475.12483 5.736 - - Eurystatin D 449.27604 6.411 - - Ebracteatoside D 437.20325 5.51 - - (3R)-1-Octen-3-yl-beta-primeveroside 421.20832 6.265 - - Dendronobiloside B 417.24984 6.192 - - (-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside 389.18229 5.901 - - Compound II(R/S) 389.16393 6.658 C06492 - Rosiridoside C 373.187 6.09 - - 1-O-Feruloyl-beta-D-glucopyranose 355.10372 5.265 - - Platyphylline N-oxide 352.17671 5.959 - - 6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside 349.18703 6.745 - - Gallicynoic acid F 343.21271 6.12 - - Corchorifatty acid F 327.21781 6.484 - - Casuarinondiol 327.12395 5.537 - - Albocycline M-6 325.20231 6.513 - - 9,10-Dihydroxystearate 315.25406 7.975 C19622 - 4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid 315.07248 5.184 - - 12-sulfooxy-9,10-dihydrojasmonic acid 307.08578 5.389 - 121232650 Soraphen O 307.19166 6.775 C15818 - 3',4'-Dihydroxy-5,7-dimethoxyflavan 301.10828 6.425 - - 3-O-(alpha-L-rhamnopyranosyl)-D-ribitol 297.11915 1.983 - - RETUSIN 7-METHYL ETHER 297.07685 6.542 - - (plusmn)12(13)-EpOME 295.2277 8.168 - - 13(S)-HOTrE 293.21231 7.843 C16316 - Carolenalol 281.13955 5.228 - - Prelunularic acid 275.09266 5.184 - - 5-epi-Valiolol 7-phosphate 273.03834 1.391 C21204 - 2-O-(alpha-D-Mannosyl)-D-glycerate 267.07221 1.42 C11544 - 2,2-Bis(4-hydroxyphenyl)-propanoic acid 257.08211 6.484 C13633 - Phaeofuran B 241.10829 6.09 - - Chloriolide 225.11337 6.061 - - Jhanilactone 223.13408 6.76 - - 7-Oxo-11-dodecenoic acid 211.13411 6.942 - - (R)-(+)-Patulolide B 209.1184 7.195 - - 3-HYDROXYSUBERIC ACID 189.07692 5.828 - - (-)-Blastmycinolactol 171.1027 7.829 - - Tanegoside 537.19873 5.199 - - Glycerophospho-N-Oleoyl Ethanolamine 478.29425 9.464 - - Forsythoside E 461.16694 5.287 - - Apiosylepirhododendrin 459.1876 6.076 - - Zizybeoside I 431.15498 5.289 C17564 - 3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide 411.20263 5.916 - - 1-palmitoyl-sn-glycerol 3-phosphate 409.23633 9.479 - - Breyniaionoside B 405.21322 6.25 - - Linderofruticoside A 399.09342 5.345 - - 3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside 379.16131 5.602 - - Docosanedioate 369.30116 10.276 C19625 - Methyl gallate 3-O-beta-D-glucopyranoside 345.0829 4.834 - - 1-O-Octadec-9-enyl glycerol 341.3062 10.306 C13860 - (-)-Glyceollin I 337.10826 5.639 C01701 - Koaburaside 331.10366 5.004 - - Paeonoside 327.10878 5.552 C10717 - 2,3-Dinor-8-iso prostaglandin F2alpha 325.20227 6.794 C14794 - Rengyoside B 319.13996 5.537 - - Abealpha1-3Manalpha 309.1193 4.79 - - Isotachioside 301.09306 4.759 - - Pseudolaroside A 299.07738 5.345 - - Sterculic acid 293.24873 10.528 C08366 - Hymenoside M 279.10858 4.96 - - Tuliposide A 277.09289 5.634 C08561 - (+)-Neothramycin B 261.08811 5.434 - - N-Lauroylglycine 256.192 7.918 - - N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate 252.05145 5.61 C11467 - Pandangolide 1 243.1238 5.948 - - Putaminoxin D 239.16537 6.435 - - Drummondol 239.12901 6.76 - - Botryolide D 215.09268 5.733 - - L-Cladinose 175.09762 5.755 C11917 - 3-exo-hydroxy-1,8-cineole 169.1235 6.381 - - beta-Cymaropyranose 161.08199 5.434 C08234 - (2-Ethoxyethoxy)acetic acid 147.06635 4.682 - - 2-Hydroxyheptanoic acid 145.08704 6.149 - - 1-Deoxy-D-xylulose 133.05068 2.307 C06257 - 1-Oxa-2-oxo-3-methylcycloheptane 127.07641 5.682 C10976 - Myrothenone B 138.0561 5.064 - - 4-Oxo-1-(3-pyridyl)-1-butanone 162.05614 1.56 C19567 - 4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol 177.09219 5.301 - - 2'-hydroxypyridoxol 184.06161 5.125 - - Foetisulfide A 223.02846 9.342 - - 2-Benzylmalic acid 223.06129 5.857 C20653 - Eucomic acid 239.05623 5.566 - - H-Ser-Phe-OH 251.10387 4.804 - - Russulanorol 253.14467 6.513 - - 4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol 253.18102 7.243 - - PISCIDIC ACID 255.05119 5.05 - - Pantetheine 277.12265 5.463 C00831 - 12(S)-hydroxy-16-Heptadecynoic Acid 281.21225 7.507 - - Tyr Leu 293.15087 5.418 - - 13(S)-HODE 295.22788 9.288 C14762 - 4alpha-Hydroxy-5beta-acetoxy-epi-cubenol 297.20721 7.229 - - trans-EKODE-(E)-Ib 309.20725 7.273 - - Triandrin 311.11376 5.668 - - Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside 339.12976 4.729 C04698 - thromboxane B2 369.22836 7.638 C05963 - Multifidol glucoside 371.13418 5.279 - - 5-Deoxyeustomoside 373.11431 5.139 - - Creoside IV 395.19268 5.959 - - Iandonone 409.15066 5.079 - - 2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside 415.16185 5.945 - - Euodionoside E 419.22924 5.872 - - Lys-Asp-Tyr 423.18797 5.418 - - Rhyncoside A 433.13562 4.897 - - Topsentisterol B1 441.33771 11.628 - - Dendronpholide L 455.26545 7.273 - - Homaxisterol B2 457.33147 9.948 - - LysoPE(0:0/18:2(9Z,12Z)) 476.27871 8.708 - - Multifidoside C 531.28128 6.25 - - Strychnohexamine 867.4759 7.565 - - 24-epi-Brassinolide 479.33784 9.933 C11049 - Bungeiside D 445.13546 5.154 - - Stylisterol A 429.33746 11.27 C14157 - Juruenolide F 417.26505 9.318 - - Dracunculifoside E 399.12992 5.653 - - Blumenol C glucoside 371.2076 5.967 - - GlcAbeta1-6Galbeta 355.08846 1.391 - - 6-O-galloyl-beta-D-glucose 331.06747 4.96 - - Bussealin A 319.1188 5.989 - - 10-Deoxymethynolide 295.19169 8.138 C11993 - Tuliposide B 293.08804 5.33 C08570 - Aspergillide B 253.14467 6.163 - - (R)-2-Hydroxybutane-1,2,4-tricarboxylate 205.03546 2.615 C01251 - 4-Hydroxyphthalate 181.01437 5.301 C06680 - Kinsenoside 263.07731 5.243 - - 2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid 285.06178 5.257 - - Geranyl beta-D-glucopyranoside 315.18157 6.527 - - 3-Methoxytyramine-betaxanthin 359.12503 5.05 C17754 - Hydroxyzine 373.16896 6.585 C07045 - FMN 455.09816 5.316 C00061 - PE(18:1(9Z)/0:0) 478.2942 9.655 - - Kahiricoside III 677.42773 7.521 - - Ile-Leu-Val-Tyr 505.30216 9.362 - - Myrsinionoside E 505.26582 6.163 - - Jasminoside H 491.21275 6.158 - - Cerin 441.37395 9.933 - - Homaxisterol B1 429.3012 11.346 - - 1,4-Bis(2-ethylhexyl) sulfosuccinate 421.22694 8.464 C07874 - Daumone 4 407.19249 6.163 - - Lauroyl peroxide 397.33246 11.049 C19438 - 3'-Acetylindicine N-oxide 356.17153 6.134 - - (3R)-3,20-dihydroxyicosanoic acid 343.28538 9.919 - 86289871 Gallicynoic acid D 309.20727 7.096 - - L-phenylalanyl-L-histidine 301.13065 4.834 - - N-(E-4-coumaroyl)-aspartate 278.06709 5.34 - - Homoisocitrate 205.03536 1.938 C05662 - 1,5-Naphthalenediamine 157.07718 4.257 C19463 - Methyloxaloacetate 145.01428 1.464 C06030 - 3-Hydroxybenzoate 136.01657 5.639 - - ETHYL PROPIONATE 101.06086 4.897 - - Cussoside B 645.34977 6.221 - - 6-Methoxykaempferol 3-(6''-acetylglucoside) 519.11486 5.77 - - Trp Glu Ile 445.20844 6.425 - - Dendroside C 415.23417 6.309 - - (9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate 395.22052 9.037 C15989 - Cetirizine 387.14841 6.44 C07778 - Hygrophiloside 343.10366 5.004 - - Creoside I 303.14495 5.955 - - Hynapene B 287.16538 6.425 - - 2-Methoxyhexadecanoic acid 285.24352 9.963 C13947 - 3-Epilitsenolide D1 281.21228 7.873 - - n-Hexyl-beta-D-glucopyranoside 263.15004 5.228 - - 2-hydroxypentadecanoic acid 257.21237 9.184 - - 1-(S)-Methylbutyl-beta-D-glucopyranoside 249.13444 5.843 - - 2-Hydroxymyristic Acid 243.19658 8.782 - - Polydactin A 221.15479 6.431 - - (2S,3R)-2,3-Dihydroxy-5-oxohexanedioate 191.01983 5.682 C21091 - (E)-4-Oxo-2-nonenoic acid 169.08707 6.542 - - Cosmosporaside B 459.26049 6.163 - - DODECAMETHYLPENTASILOXANE 383.13779 5.653 - - beta-(N(pros)-L-histidino)-L-tyrosine 333.11944 4.684 - 86289070 Itoside L 291.10878 5.094 - - Oxaloglutarate 203.01979 1.435 C05533 - 4,7-dioxooctanoic acid 171.06635 5.682 - - D-Glutamine 145.06197 1.36 C00819 - 3-Oxohexanoic acid 129.05581 4.897 C02122 - 13-Hydroxydocosanoic acid 355.32197 10.528 C03049 - 12,13-Epoxy-9-hydroxy-10-octadecenoate 311.22287 7.521 C14832 - 2-Methylbenzoxazole 132.04548 5.434 - - (Z)-But-1-ene-1,2,4-tricarboxylate 187.02497 1.523 C04002 - Sutherlandioside B 651.41197 6.106 - - Fraxamoside 537.16161 5.345 - - 4'-O-beta-D-glucopyranosylgentiopicroside 517.15676 5.213 - - Methyl lucidenate Q 473.29124 9.552 - - Rhodioloside E 465.23439 5.901 - - Saccharumoside C 461.13056 5.035 - - Hyuganoside IV 443.156 5.374 - - 6alpha-Angeloyloxynidorellol 403.28549 11.195 - - Glucoacetosyringone 357.11916 5.199 - - MEDICA 16 341.2697 9.508 - - 21-hydroxy-heneicosanoic acid 341.30615 11.598 - - Chaenorrhinoside 341.08791 5.418 - - 19-hydroxy-2,3-dinor-6-oxo-PGF1alpha 357.19213 6.527 - - 2-Hydroxydocosanoic acid 355.32198 8.42 - - Lesquerolic acid 325.27487 10 - - Limazepine B1 289.11958 5.33 - - Hexane-1,5-diol 1-O-beta-D-glucopyranoside 279.14486 4.989 - - Chokol F 239.16535 6.716 - - (R)-(Homo)3-citrate 233.0668 5.316 C16598 - 2-n-Propyl-4-oxopentanoic acid 157.08705 5.77 C16655 - 3-Deoxy-lyxo-heptulosaric acid 221.03039 1.42 C21044 - (7S)-Hydroprene 265.21731 7.843 - - Ixerisoside I 443.19261 5.625 - - Rosiridoside B 463.21911 6.246 - - Pinelloside 712.53761 11.078 - - 4-deoxyphloridzin 419.13496 5.184 - - Topsentisterol A3 411.29067 11.331 - - Neostigmine bromide 301.05664 4.989 - - (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate 239.05614 6.92 C05817 - Benzyl beta-D-glucopyranoside 269.10302 5.668 - - 9(S)-HpODE 311.22285 8.153 C14827 - 9-Hydroxylinaloyl glucoside 331.1763 6.44 - - Dendroside F 429.21322 5.697 - - Sacranoside A 445.20841 5.655 - - cis-1,2-Dihydro-3-methylcatechol 125.06081 5.449 - - Myristic Acid Alkyne 223.17045 7.348 - - Flustramine H 403.13809 5.463 - - Dictamnoside L 413.21834 5.974 - - Monomethyl phosphate 110.98534 1.374 - - 1,2,7,8-DIEPOXYOCTANE 141.09217 6.498 - - Hydroxyacetone phosphate 152.99573 8.984 C03505 - (2E)-9-hydroxynon-2-enoic acid 171.10276 6.381 - - 4-Hydroxy-2-oxo-heptanedioate 189.04059 5.02 C05601 - (S)-(+)-Ibuprofen 205.12342 6.76 - - 3E,5E-tridecadienoic acid 209.15476 7.287 - - 7,8-Dimethoxy-6-hydroxycoumarin 221.04567 5.537 - - Jioglutin C 231.08747 5.257 - - 2-keto palmitic acid 269.21234 8.977 - - (-)-Vallesamidine 295.21836 8.094 - - 2-Oxooctadecanoic acid 297.24351 9.802 C00869 - 2-Oxophytanate 325.27489 10.587 C02117 - 2-Hydroxytricosanoic acid 369.33745 9.978 - - 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate 381.20516 8.621 - - Rhodomollein XIV 385.22349 6.534 - - Glu-Gly-Trp 389.14636 5.682 - - Polygalatenoside C 429.14054 5.33 - - 2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one 431.13525 5.537 C14953 - trans-Caffeic acid stearyl ester 431.31686 8.346 - - Dictamnoside I 433.24447 5.887 - - 24-epi-Secasterone 445.33266 10.247 - - Eurycomaoside 529.22955 5.624 - - Epoxypheophorbide a 607.25718 9.978 C21192 - 3,13-Di-O-beta-D-glucopyranosilgeranyllinalol 629.35475 6.993 - - Dianthin C 675.35174 7.759 - - Eriojaposide B 515.24999 5.989 C17889 - Steppogenin 4'-O-beta-D-glucoside 449.10926 5.374 - - Icariside B2 385.18704 6.003 - - 3-Amino-2,3-dideoxy-scyllo-inosose 160.06163 5.252 C17581 - Obovaten 339.1238 5.537 - - Phloretin 2'-O-(6''-O-acetylglucoside) 477.14067 5.557 - - Randioside 371.09862 5.243 - - cis-1,2-Cyclohexanediol 115.07646 5.449 C12313 - Dendronobiloside A 563.30805 6.109 - - 2-Methyleneglutarate 143.03503 1.376 C02930 - Ile Leu 243.17135 5.551 - - Muricatacin 283.22796 9.42 - - Val Leu Asp 344.18269 5.139 - - Asystasioside A 521.1874 5.567 - - Gagunin B 691.40684 6.501 - - Pouoside G 751.42822 6.711 - 56926501 phenyl glucuronide 269.0669 5.272 - - 9,10-DiHOME 313.23853 7.595 C14828 - Isosafrol glycol 195.06633 5.561 - - L-Arabinose 149.04551 1.435 C00259 - GEIR-3 229.07183 5.287 - - Tensyuic acid F 243.08744 5.668 - - 5-O-Methylembelin 307.1917 7.214 C10373 - 4'-O-Methylgallocatechin 319.08263 5.586 - - Tetradecyl iodide 323.12498 5.653 - - Coniferinoside 503.17784 5.36 - - Atractyloside D 561.29208 6.192 C17861 - 5-Formylbenzofuran 145.02948 5.33 - - trans-2-Phenylcyclopropanecarboxylic acid 161.06088 5.857 C15419 - LETHEDOSIDE B 519.15103 5.726 - - Bis(glycerophospho)-glycerol 399.04659 1.236 C03853 - Apigeniflavan 5-O-xyloside 389.12426 5.522 - - GLY-GLY-ILE 244.13041 5.184 - - gamma-Glu-Ile 259.13004 4.699 - - Acetyl-maltose 383.11985 2.383 C02130 - Sipholenone D 473.36386 10.469 - - 1-Stearoyl-sn-glycero-3-phosphate 437.26764 10.38 - - Curculigoside B 451.12492 5.161 - - Okanin 4-methyl ether 3'-glucoside 463.12515 5.755 - - Proacacipetalin 258.09827 5.316 C08338 - 4-Nitrophenyl butyrate 208.06164 5.11 - - Methylgrandifloroside 551.17738 5.316 - - Turpinionoside E 387.2027 5.682 - - Cetoniacytone B 170.04597 5.287 C21249 - 3,16-dihydroxypalmitic acid 287.22285 6.745 - - (6R,7S)-6,7-Epoxyoctadecanoic acid 297.24353 9.229 C13791 - Gein 457.1721 5.35 - - Tomentin 6-glucoside 507.11482 5.595 - - Robinobiose 325.11423 2.315 C08246 - Daldinal B 315.08764 6.12 - - Dehydro-1,8-cineole 151.11283 7.521 - - Calystegine B1 174.07725 2.71 - - Dinocton 6 353.13525 5.035 C18922 - LysoPE(0:0/18:0) 480.30993 9.596 - - Eriosemaside B 403.12482 4.775 - - Dodecyl glucoside 347.24417 6.469 - - (-)-threo-Iso(homo)2-citrate 219.05114 5.169 C16597 - H-PHE-ASP-OH 279.09889 4.943 - - Diosmetin 7-Apiosyl-(1->2)-(6''-acetylglucoside) 635.16244 6.061 - - Benzofuran 117.03462 5.554 C14512 - Palmitic acid 255.23306 10.454 C00249 - N-Acetyl-alpha-D-glucosamine 1-phosphate 300.0491 1.406 C04501 - 11-deoxy-PGF1beta 339.25418 8.064 - - 6beta-Hydroxyantirrhide 345.1193 5.079 - - Ibhayinol 349.05837 1.494 - - galactopinitol A 355.12473 1.42 - - Fraxin 369.08295 5.316 C09266 - Lauroside B 403.19764 6.527 - - Vittarilide B 293.06692 5.272 - - Cumingianoside F 677.42726 6.658 - - Isoharringtonic acid 219.0875 5.77 - - Frequentin 251.129 6.178 - - phosphoethanolamine (P-16:0) 436.28353 9.332 - - Porphobilinogen 225.08817 4.975 C00931 - 1-O-beta-D-Glucopyranosylamplexine 361.15085 5.755 - - Didrovaltrate acetoxy hydrin 483.22394 7.023 - - Chavicol 133.06592 5.566 C16930 - 1alpha,4alpha-Dihydroxybishopsolicepolide 319.11881 5.697 - - 3'-hydroxy-biochanin A 298.04801 6.265 - - Melampyroside 449.14585 5.876 - - Acetyl-L-tyrosine 222.07729 5.257 - - Ligupurpuroside C 737.26693 5.887 - - Cumingianoside B 695.43699 6.614 - - Trp Pro Ser 387.1664 5.414 - - cimifoetiside A 781.43724 6.605 - - Asp Val Leu 344.18274 5.522 - - 3-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]propanoic acid 219.08753 5.272 - 44202063 2-Hydroxy-3-oxoadipate 175.02478 1.45 C03217 - 13-Acetoxy-3-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide 305.13985 5.223 - - Annuionone A 223.1341 6.396 - - Capillarisin 315.0512 5.795 C08999 - Ulmoside 507.17214 5.449 - - Dentatin A 427.19761 5.61 - - Paeonin B 479.15613 5.243 - - Limazepine C 271.10899 5.33 - - Aspinotriol B 171.10274 6.032 - - H-Met-Leu-OH 261.1278 5.301 - - lysophosphatidic acid 435.25199 9.714 - - 2,5-Dihydroxy-p-cymene 165.09208 5.624 - - Boschnialactone 153.0921 5.605 C09772 - Methylsuccinic anhydride 113.02451 1.391 - - Kaempferol 3-(4'',6''-diacetylglucoside)-7-rhamnoside 677.1727 6.018 - - 3beta,23-Dihydroxy-30-nor-olean-12,20-dien-28-oic acid 455.31703 11.554 - 70698142 Indole 116.05057 5.301 C00463 - H-PHE-LEU-OH 277.15584 5.639 - - Ailantinol B 393.15506 5.726 - - Deoxy phytoprostane J1 289.18109 6.92 - - Apigenin 7-O-glucoside 431.0985 5.571 C04608 - Dendronpholide P 423.23915 6.44 - - 2-Isopropylmaleate 157.05063 5.639 C02631 - agrocinopine D 421.07587 1.42 - 86289958 10-Methoxyyagonin 287.09276 5.814 - - (2S)-2,6,10,14-tetramethylpentadeca-1,18-diyl sulfate 459.21014 5.257 - - 4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate 351.05772 4.775 C04733 - Paulownioside 379.12545 5.11 - - 1-heptadecanoyl-sn-glycero-3-phosphate 423.25207 9.582 - 44575057 Sublanceoside H2 969.47054 6.891 - - Diisopropyl sulfate 181.05441 4.729 C19230 - Viscumneoside VI 505.13598 5.755 - - N-glycoloyl-D-glucosamine 236.07765 1.42 - - Tricin 7-glucuronide 505.09926 5.639 - - Myrsinionoside D 375.23902 6.076 - - Leu-Ala-Ser 288.15664 5.11 - - Kabiramide K 865.46064 7.023 - - Phlomiol 437.13036 5.272 - - Yiamoloside B 823.44802 6.708 C08990 - Alstonoxine B 329.18647 9.596 - - trans-2-Octenal 125.0972 6.542 C21138 - Geranyl acetate 195.13911 6.76 C09861 - Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate 203.09264 6.095 C04587 - L-glycero-D-manno-Heptose 209.0667 1.435 C21043 - (+/-)-6-Hydroxy-3-oxo-alpha-ionol 223.13402 7.873 C04166 - Pentadecanal 225.22247 9.596 C01948 - 7-Mercaptoheptanoylthreonine 262.11193 5.755 C16594 - gamma-Linolenic acid 277.21724 11.331 C06426 - Phe Glu 293.11455 5.053 - - (-)-Sparticarpin 299.09238 0.557 C10531 - Scillabiose 325.11427 4.819 C19635 - Guanosine-3',5'-cyclic monophosphate 344.04029 2.444 C00942 - Clidinium 351.18483 7.214 C07853 - N(6)-methyl-AMP 360.07182 4.638 - - 6-Keto-prostaglandin F1alpha 369.22842 6.877 C05961 - Citroside B 385.18711 5.551 - - Herdmanine C 413.14566 5.653 - - Distigmine 415.23426 6.556 - - 10-Hydroxymorroniside 421.13553 5.434 C11660 - Oleoylglycerone phosphate 433.23626 8.977 C03630 - gamma-CEHC glucuronide 439.16119 5.93 - - Atractyloside B 449.23966 7.067 C17859 - 5,10-Methenyltetrahydrofolate 455.1563 5.741 - - Pectolinarigenin 7-rhamnoside 459.13023 5.61 - - Kelampayoside A 477.16156 5.741 - - Kanokoside B 477.19809 6.149 C17429 - Asp-Phe-Val-Val 477.23445 6.644 - - N-Acetyl-O-demethylpuromycin 498.21151 6.95 C07031 - Nocardicin B 499.14617 5.741 C17350 - Cryptocaryol E 499.36444 10.35 - - Scoparin 6''-acetate 503.12004 7.58 - - Melampodinin 521.16695 5.61 C09501 - Deoxyloganic acid tetraacetate 527.17741 6.134 C11647 - hydrangenol 4'-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside 549.16198 5.93 - 70698012 Palargonidin 3-(6''-malonylsophoroside) 679.1526 6.061 - - Pouoside F 693.42263 6.614 - - Peonidin 3-(6'-malonylglucoside)-5-glucoside 709.16349 5.872 - - cumingianoside D 719.43852 7.463 - - Digoxin 779.42306 6.877 C06956 - Monodemalonylmonardaein 825.1898 6.076 - - Malonylshisonin 841.18413 5.726 - - Ophiopogonin D 853.45981 5.959 C17042 - gordonoside K 941.47553 5.916 - - Madecassoside 973.50233 6.542 - - Phe-Trp-Ala 421.18834 8.405 - - Juvenile hormone II 279.19655 7.58 C04867 - ponciretin 284.06917 5.93 - - cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene 175.07625 5.492 C14102 - 3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone 447.13007 5.697 - - Lyconoside III 899.46529 6.862 - - TERNSTROSIDE C 465.14022 5.492 - - 11-deoxy-11-methylene-PGD2 349.23866 8.561 - - N-Acetylnorloline 181.09833 4.975 - - S-HNE 155.1078 6.12 - - Secologanin dimethyl acetal 433.17195 5.741 - - Uridine 2'-phosphate 323.02878 1.968 C03031 - Leiocarpaquinone 311.05627 6.898 - - Capsiate 305.176 6.993 C20203 - Leptosidin 6-xylosyl-(1->4)-arabinoside 563.14121 5.682 - - 5-Hydroxypseudobaptigenin 297.04047 7.602 C19727 - Arborside B 493.17243 5.345 - - Methylnissolin 3-O-glucoside 461.146 5.814 - - Trichocarane C 255.19671 8.857 - - Eleganoside C 435.15097 5.507 - - Tuboanoside B 823.41272 6.396 - - Ardisiacrispin A 1119.56005 7.184 - 14019197 Virginiamycin M1 506.23008 6.279 C11299 - Zingiberen Newsaponin 1045.52336 6.149 - - Protogracillin 1063.53368 6.09 C08908 - Rehmannioside C 509.18839 5.522 - - Picfeltarraenin IB 791.42171 8.153 - - Tenuifoliside A 681.2042 5.404 - - Lanatoside C 983.48492 7.85 C13470 656630 Zerumbone 263.16535 6.935 C20262 5372142 Methyl 3-O-methylgallate 243.05116 4.744 - - Lobetyolinin 557.22462 6.09 - 5459227 Parishin E 459.11492 2.413 - - Loganic acid 375.13056 5.124 C01512 - Shanzhiside methyl ester 405.14081 4.775 - - Barlerin 493.15546 5.301 - - Cauloside C 765.4434 6.767 C17547 - Shanziside 391.12497 1.893 C17066 - Prim-O-glucosylcimifugin 513.16174 5.887 - - Gypenoside XLIX 1045.55983 7.741 - - Betulinaldehyde 485.36406 11.441 - 99615 Epsilon-(gamma-glutamyl)-lysine 274.14106 4.774 C21730 7015684 2-Naphthoxyacetic acid 201.05586 5.279 C18750 8422 Clerodendrin 621.11011 6.061 - 5488004 Glycyl-L-tyrosine 237.08819 2.592 - 92829 Tricosanoic acid 353.3426 11.434 - 17085 2-Thiocytidine 258.05543 5.004 - 3011746 3-Indoleglyoxylic Acid 188.03544 0.625 - 73863 3-Indoleacetonitrile 155.06155 4.834 C02938 351795 5-Hydroxytryptophol 222.07717 0.809 - 9061 Palmitoleic acid 253.21732 9.904 C08362 445638 Arbutin 271.08257 5.272 C06186 440936 beta-D-Xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-D-fucose 441.16202 4.975 - 91859160 PA(a-17:0/TXB2) 775.47736 8.616 - - PA(18:1(12Z)-O(9S,10R)/i-17:0) 701.47597 11.598 - - Cellulose, microcrystalline 369.1404 4.702 - 14055602 2,6-Diaminopurine 2',3'-dideoxyriboside 249.11092 6.639 - 14607007 PA(i-19:0/5-iso PGF2VI) 759.48273 10.335 - - 1-(3-Methyl-2-butenoyl)-6-apiosylglucose 393.14114 5.272 - 74029762 Cymorcin diglucoside 489.1982 5.639 - 131752626 DG(5-iso PGF2VI/0:0/10:0) 553.3754 7.052 - - 2-Hydroxy-4-methylthiobutyric acid 133.03366 1.349 - 11491941 6-Mercapto-1-hexanol 133.06926 5.743 - 560126 Threonyltyrosine 281.11432 4.849 - 11778518 3-(3,4-Dihydroxyphenyl)-1-propanol 3'-glucoside 329.12431 5.755 - 85366474 3,3'-Dimethoxybenzidine 243.11387 5.682 C19231 - (2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol 205.08655 5.449 - 131751231 (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid 229.09823 5.33 - 73530 6-O-Oleuropeoylsucrose 507.20873 6.003 - 131752310 Rifampin 821.3981 7.081 C06688 - Cetylmannoside 403.30666 10.735 - 368379 1,1'-Thiobis-1-propanethiol 181.01774 1.905 - 18185507 PG(18:1(12Z)-O(9S,10R)/22:4(7Z,10Z,13Z,16Z)) 837.52883 10.779 - - Glucosyl passiflorate 695.40213 6.221 - 92023814 5alpha-Pregnan-3alpha,20beta-diol disulfate 479.17725 5.918 - 99600203 Mono-trans-p-coumaroylmesotartaric acid 309.06185 5.11 - 10108584 5,6-Dihydrouridine 245.07762 5.257 - 94312 3-Methoxy-4-hydroxyphenylglycol glucuronide 359.0987 5.58 C03033 22833525 PA(16:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 729.47106 11.747 - - Smilanippin A 723.43337 6.658 - 131753117 Glutamylserine 233.07787 1.406 - 6995653 3'-Hydroxystanozolol 343.23893 6.862 - 14299601 (S,S)-Np-Histidinylalanine 241.09323 1.329 - 15413141 4-O-Caffeoylshikimic acid 335.07774 5.418 - 131751510 Semilepidinoside A 335.12507 5.064 - 131751375 Dihydrocaffeic acid 3-O-glucuronide 357.08304 5.257 - 49844972 Methionyl-Tyrosine 311.10706 4.975 - 23275780 PA(6 keto-PGF1alpha/16:0) 761.46133 8.256 - - B-Octylglucoside 291.18148 6.676 - - N-(4-Amino-5-methoxy-2-methylphenyl)benzamide 255.11397 5.959 - 66830 Arginylleucine 286.18861 4.638 - 6992563 2,3-Butanediol glucoside 251.11363 4.759 - 78171387 Dimethylthiambutene 262.07219 5.77 - 10668 Cyclopassifloic acid A 535.36451 6.396 - 73800244 PA(16:0/PGE2) 743.45138 10.852 - - PI(18:2(10E,12Z)+=O(9)/16:0) 847.49847 11.808 - - Azukisaponin IV 971.48652 6.454 - 13035680 LysoPE(16:1(9Z)/0:0) 450.26307 8.676 - 52925129 1-O-Galloylglycerol 243.05119 5.154 - 5317465 cis-3-Hexenyl b-primeveroside 393.17706 5.77 - 131751183 Agar 335.13511 6.12 - 76645041 Lupinisoflavone A 351.08761 1.406 - 5319901 Umbelliferone glucuronide 337.05715 5.184 - 125641 Gingerglycolipid B 677.3763 8.737 - 131753023 Neuromedin B (1-3) 301.1516 4.962 - 53481577 PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/P-16:0) 727.45598 6.979 - - Isoglobotriaose 501.18319 4.867 - 53477863 Bacoside A 767.45929 6.425 - 53398644 Etridiazole 244.91105 1.299 C18460 17432 N-Succinyl-2-amino-6-ketopimelate 288.07268 5.05 C04462 440349 Arginylisoleucine 286.18864 3.786 - 7009553 Lepidimoic acid 321.08307 1.435 - 4479101 Trimetaphosphoric acid 238.89093 2.553 C02466 510 1-Thiocyanato-4-(methylthio)butane 160.02656 5.199 - 89295500 Trimethadione 142.051 2.638 - 5576 Dihydroasparagusic acid 150.98887 2.636 C04371 440312 Imidazoleacetic acid ribotide 337.04465 1.464 C04437 16019958 N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole 277.11997 5.184 - 440780 isorhamnetin 3-rutinoside-7-glucoside 311.07756 5.272 - 11023363 Phenylalanyllysine 292.16683 4.912 - 15607820 1-Lyso-2-arachidonoyl-phosphatidate 457.2367 8.931 - 76043735 Isopentyl gentiobioside 411.18791 5.257 - 131753153 16alpha-Fluoroestradiol 289.16025 5.11 - 14211618 9,10-Epoxy-18-hydroxy-octadecanoic acid 313.23863 10.276 C19620 - Zeanoside B 366.08319 5.02 - 13988326 Pratenol B 303.05118 5.61 - 131752877 modafinil acid 273.05925 5.463 - 3085267 Cappariloside A 333.10944 5.325 - 72761836 Corchoionoside B 399.16622 6.09 - 131751110 2-Hydroxy-22-methyltetracosanoic acid 397.36892 11.762 - 23427392 Ligstroside-aglycone 361.12865 5.235 - - Ethyl 4-(methylthio)butyrate 161.06496 5.257 - 5463935 1alpha-Hydroxycorticosterone 361.20231 6.163 - 21850823 Alanylaspartic acid 203.06742 1.391 - 99719 Dolichyl b-D-glucosyl phosphate 465.22643 6.804 C01246 22833557 Xanthotoxol glucoside 363.07257 5.316 - 13846551 Indene 115.05532 5.566 - 7219 2,3-Butanediol apiosylglucoside 383.15628 5.064 - 85267368 2-Methyl-4-propyl-1,3-oxathiane 159.08565 5.316 - 101010 Ethyl gallate 3-glucuronide 373.07796 5.228 - - Cryptophycin 52 667.27828 8.124 - 73170069 3,7-Dimethyl-5-octene-1,7-diol 1-glucoside 333.19201 6.673 - 131751622 Cimicifugoside 673.36018 6.775 C08935 4483256 Goyaglycoside c 661.43293 7.858 - 131752113 N-Acetyl-9-O-lactoylneuraminic acid 380.1199 4.943 - 192236 1-Stearoylglycerophosphoserine 524.29986 10.156 - 74819135 2-trans-O-Feruloylglucaric acid 385.07803 5.198 - - Glycerol 1-propanoate diacetate 231.08743 6.149 - 20111767 N-Undecylbenzenesulfonic acid 311.16892 8.346 - 38222 Hexadecyl ferulate 417.30127 11.681 - 14522983 Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate 387.29067 11.762 - 131752389 2-(Sec-butyldisulfanyl)-1h-imidazole 187.03624 1.42 - 219104 Urolithin C 3-glucuronide 419.06273 5.257 - - 5'-((Z)-Feruloyl) 3-(2'-methylarabinosylxylose) 471.15102 5.566 - 131750982 Glucose pyruvate acetate 323.06213 4.912 - - 19-Hydroxycinnzeylanol 19-glucoside 561.2562 5.639 - 131752068 Tyrosyl-Tyrosine 343.12972 5.125 - - Asparaginylalanine 202.08354 1.376 - 9942455 Cyclopassifloside I 697.41771 6.396 - 73800248 Caffeic acid 3-O-glucuronide 355.06737 5.139 - 25171992 Baccatin 457.33276 9.066 - 124222279 2-(1H-Indol-2-yl)ethanamine 159.09279 5.655 C02548 439752 Hispidin 245.04573 5.301 - 54722180 LysoPE(0:0/14:0) 424.24754 8.38 - 53480919 Geranyl Phosphate 165.03223 1.376 C01048 5280394 Ganoderic acid N 529.2813 8.867 - 131751706 Dimethyl 2-galloylgalactarate 389.07306 5.011 - 85208222 GHB-Gluc 279.07226 4.759 - 131836336 Polysorbate 60 433.28085 7.507 - 22833389 1,2,3,4-Tetrahydro-2-methyl-b-carboline 185.10904 7.143 - 121896 Nicotine glucuronide 337.14058 5.184 - 3035848 (+/-)-Ethyl 3-mercapto-2-methylbutanoate 161.06489 2.04 - - Lepidiumterpenyl ester 381.30146 8.647 - 11794320 alpha-Tocopherol phosphate 509.34091 9.391 - 102783 2,3-dinor-6-oxoprostaglandin F1alpha 341.19699 6.411 - 5283084 Inecalcitol 399.29062 11.554 - 73746227 3-Hydroxytetradecanedioic acid 273.17092 6.265 - 20848956 Milacemide 143.11904 5.213 - 53569 Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside] 453.1985 5.653 - 73981662 Schidigeragenin B 427.2855 10.793 - 73829990 Cyclopassifloside II 681.42281 6.997 - 73800249 Gingerglycolipid C 679.39071 9.229 - 131753024 4-amino-4-deoxychorismate 224.05656 5.301 C11355 443142 alpha-Caryophyllene alcohol acetate 263.20166 7.536 - 131752165 2'-Fluorothymidine 259.07256 5.035 - 352992 Clofarabine 302.04542 4.914 - 119182 2-(3-Mercaptopropyl)pentanedioic acid 205.05353 5.449 - 10198171 Irisresorcinol 345.27994 10.764 - 13845892 11-Dehydro-2,3-dinor-txb2 339.18131 6.381 - 53394243 Macrocarpal B 471.27533 9.139 - 14807364 PGP(18:3(6Z,9Z,12Z)/TXB2) 937.44881 7.873 - - Sorbitan laurate 345.22826 6.687 - - 5,7-Megastigmadien-9-ol glucoside 355.21284 7.184 - 131753017 LysoPA(19:1(9Z)/0:0) 449.26773 9.816 - - N(8)-citryl-spermidine 318.1672 5.079 - - 9-epi-solanioic acid 455.27936 9.225 - - PGP(16:1(9Z)/15:0cycw5) 783.42112 9.006 - - PA(12:0(3-OH)/12:0(3-OH)) 567.3308 9.787 - - BCA 1 365.23329 7.77 - - Ficiolide I 343.17638 5.945 - - Polanrazine C 346.12273 5.079 - - PA(12:0/12:0(3-OH)) 551.33632 9.802 - - PA(15:0cycw5/10:0(3-OH)) 563.33592 9.948 - - N2,N6-Diacetyllysine 229.11942 5.287 - - PA(16:0/i-19:0) 689.51235 10.69 - - Fumigaclavine G 293.20301 7.536 - - LysoPA(17:0cycw7/0:0) 421.23651 9.11 - - PA(10:0(3-OH)/10:0) 495.27343 9.066 - - Ficipyrone A 269.1394 6.592 - - LysoPA(15:0cycw5/0:0) 393.20503 8.632 - - Pectolinarin 621.18306 5.551 - - Oxazepam 285.04319 5.257 C07359 4616 Docosahexaenoic acid 327.23296 9.919 C06429 445580 2-Hydroxyphenanzine-1-Carboxylic acid 239.04558 5.743 - 77692 delta4-Dafachronic acid 413.30653 11.926 C21076 22216313 o-Phospho-L-serine 184.00183 1.36 C01005 - DGMG 18:3 675.36065 8.319 - - MGMG 18:2 561.32855 9.021 - - Delphinidin 301.03638 4.989 C05908 128853 ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE 328.04545 2.259 - - SUBERYL GLYCINE 230.10342 5.711 - - LPG 17:0-d4 497.28907 9.631 - - Ethionamide 165.04866 1.376 C07665 3287 4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide 307.0752 5.345 - 104143 Arginine 173.10453 1.329 C02385 - CMPF 239.09258 6.178 - - Kinetin-9-riboside 346.11479 4.882 - 20345 L-beta-homothreonine 132.06668 1.376 - - Quercetin-3-Arabinoside 433.07853 5.272 - - Miraxanthin-V 345.1092 5.492 C08557 - Taxuside 343.13992 6.323 - - Koninginin G 301.20214 6.338 - - (3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid 281.08783 1.983 - - Val Phe 263.14016 5.463 - - 3-Vinyl-4H-1,2-dithiin 142.99861 1.45 - - Trungapeptin B 723.43368 8.153 - - Guineamide D 671.40254 6.614 - - Unnarmicin C 661.39722 7.902 - - Tricalysioside N 557.29661 6.265 - - Quercetin 3-(6''-malonylglucoside) 549.08922 5.639 - - L-olivosyl-erythronolide B 531.31778 6.935 - - Platanionoside I 521.25975 6.775 - - Suspensolide E 519.20869 6.454 - - Stoloniferone S 473.32773 10.543 - - Glochidionionoside A 401.18214 5.974 - - Vindolinine N-oxide 351.17166 8.827 - - 1-O-Vanilloyl-beta-D-glucose 329.08802 5.595 C20470 - 1,3,5,6-Tetrahydroxy-8-methylxanthone 273.04076 5.301 - - formycin b 267.07353 4.775 - - Triethylene glycol diglycidyl ether 261.13444 5.199 C19537 - 2',4'-Dihydroxychalcone 239.07048 5.566 - - Peperomin F 473.14596 5.799 - - Eiseniaiodide B 419.1091 5.303 - - Ziprasidone 411.10458 4.912 C07568 - Ancistroquinone D 263.05615 5.492 - - Tichocarpol A 261.0075 4.975 - - (E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one 205.15952 7.229 - - Botryaloic acid 283.15523 6.571 - - H-LEU-LEU-GLY-OH 300.19293 5.272 - - (3R)-3,17-dihydroxymargaric acid 301.23849 7.624 - 86289868 Indicine N-oxide 314.1611 6.12 - - 3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside 315.10886 5.551 - - Leu-Val-Ser 316.18783 5.05 - - Marrulanic acid 323.18665 6.43 - - Heliotrine N-oxide 328.17669 6.221 - - Gluroside 331.14002 5.93 - - Phe Ile Gly 334.17735 5.741 - - 13,14-dihydro Prostaglandin F1alpha 357.26494 7.126 - - Macrocalyxin G 425.2185 7.111 - - Radiosumin B 443.22904 6.163 - - N-Acetyl-leu-leu-tyr-amide 447.26037 7.081 C11297 - Pikuroside 529.1566 5.478 - - Lembehsterol B 573.25611 5.711 - - Alangilignoside D 551.21356 6.338 - - Pharboside C 543.28165 6.614 - - Dutasteride 527.2138 6.134 - - verminoside 523.14618 5.243 - - Rolapitant 499.18235 5.901 - - Cypellocarpin A 497.1671 5.537 - - DHP-mOx-NS-DHB 485.20423 5.726 - - Sachalinoside A 483.18727 6.083 - - 7-O-6'-O-Malonylcachinesidic acid 459.11457 5.449 - - Iriomoteolide 3a 433.25977 8.857 - - Hypericophenonoside 423.09325 5.257 - - Ligantrol monoacetate 397.25975 7.229 - - Sinapoyltartronate 325.05679 5.228 C02750 - Pre-bikaverin 323.0564 2.569 - - Fulvic acid 307.04604 5.272 - - 2-Phenylethyl-2,6-diacetyl beta-D-glucopyranoside 367.13994 5.887 - - Alangionoside O 537.25574 6.43 - - Irisoquin D 433.33307 9.354 - - Hibiscetin 3,8,4'-trimethyl ether 375.07256 5.279 - - cis-coutaric acid 295.04611 5.272 - - Patuletin 3-(6''-acetylglucoside) 535.10995 5.434 - - Iriomoteolide 1a 505.31802 7.038 C20009 - 3beta,4beta,23-Trihydroxy-24-nor-olean-12-en-28-oic acid 473.32707 9.937 - 56601460 Kuguacin Q 471.31246 9.972 - - Icariside H1 385.15067 6.069 - - Drosophylloside 379.10366 5.33 - - Gibberellin A8-catabolite 361.12912 5.494 C11870 - Sterebin C 351.21787 7.58 - - (+)-7alpha,8alpha-Epoxyblumenol B 239.12903 6.279 - - Saframycin A 561.19918 5.61 - - Saponaceolide E 517.31772 7.21 - - Marioside 457.2084 5.916 - - Ixoside 387.0938 5.267 - - 6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose 311.09849 1.432 C11535 - Itoside M 275.11408 5.184 - - Dracunculifoside H 563.17787 5.58 - - Homaline 489.32291 7.58 C10599 - Myrrhanol B 473.3638 11.672 - - cis-(Homo)2-aconitate 201.04065 5.169 C20581 - Ostopanic acid 307.19167 7.595 - - n-Butyl-beta-D-fructopyranoside 235.11879 4.96 - - 6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside 537.12559 5.566 - - Wilforic acid D 515.37505 11.404 - - Serjanic acid 499.34269 11.211 - - plakortone N 415.28564 11.032 - 51042628 Allobetonicoside 505.15696 5.139 - - Phlomistetraol C 459.34828 10.958 - - Pfaffic acid 439.32179 11.24 C08965 - 2-Methoxyoctadecanoic acid 313.27496 10.156 - - 7-O-Demethyl-2,3-dihydro-albocycline 295.19157 7.052 - - 2,3-dicaproin 287.18649 6.076 - - alpha-CEHC 277.1446 8.494 - - 13,14-dihydro-15-keto-PGF1alpha 355.24902 8.127 - - Lusitanicoside 441.17724 5.711 C10474 - [12]-Shogaol 359.25944 8.991 - - Resorcinin 347.29553 11.302 - - Chorismate 225.04048 5.035 C00251 - Lilioside B 253.09304 2.569 - - Clerodinin D 479.26549 6.993 - - L-Erythrulose 119.03505 5.213 C02045 - Penifulvin D 279.12389 5.741 - - Formylfusarochromanone 319.12999 5.184 - - Prochlorperazine 372.12987 4.834 C07403 - Sinuflexibilin 383.24418 7.17 - - Flustramine D 387.14472 5.573 - - 12-O-deacetyl-19-O-methyl-12-epi-deoxoscalarin 401.30634 9.125 - 52951401 Paeonolide 459.15151 5.33 C10715 - Withaphysalin N 483.23834 6.192 - - Tinosinenside 527.25023 6.848 - - Liarin 244.08279 5.125 - - Sterol 247.20678 7.521 C00370 - N-Caffeoylputrescine 249.1245 5.064 C03002 - Xestodecalactone A 263.09316 5.434 - - 3-(6'-Methylthio)hexylmalic acid 263.0959 5.857 C17227 - Kessyl acetate 279.19656 7.858 - - (Ac)2-L-Lys-D-Ala 300.15665 5.11 C02487 - Kushecarpin A 317.10317 5.595 - - Lauroylcarnitine 342.26501 9.154 - - Lambicin 351.14487 5.653 - - Shermilamine E 391.1232 5.02 - - 12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol 395.28048 9.244 - - Conyzatin 403.1037 5.551 - - Hymenoside P 441.14053 5.668 - - CARDIVIN C 465.21384 8.494 - - Kadsuphilin D 475.16157 5.77 - - 3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester 475.30664 10 - - Teucardoside 489.16209 5.345 - - pyrochlorophyllide 555.22503 5.639 - - Isomartynoside 651.23021 5.527 - - 6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-pyran-2-one 275.05657 5.287 - 54750155 3,7-Dihydroxy-5,3',4'-trimethoxyflavone 343.08248 6.12 - - 2-hydroxytridecanoic acid 229.18101 8.376 - - 8-Methylthiooctanaldoxime 188.11232 5.228 C17251 - Centaurein 521.13103 5.507 - - Deacetylbowdensine 318.13472 6.061 - - Lycoperodine 1 215.0828 5.035 - - N,N-Dihydroxy-L-tryptophan 235.07253 4.849 C19717 - Euphorbianin 667.15095 5.287 - - 25-O-Methylcimigenol 501.35905 11.032 - - Isofraxidin glucoside 383.09886 5.287 - - Latifonin 259.08239 5.272 - - Osmundalin 289.09295 5.551 - - Cycloparvifloralone 299.15 5.857 - - Sartol acetate B 379.24935 8.39 - - N-Acetyl Serotonin beta-D-Glucuronide 393.13044 5.463 - - Bisdihydrotrifarin 393.30145 9.095 - - Cistanoside E 475.18235 5.374 - - Cryptocyanin 479.09935 5.287 - - Kunzeaphlogin D 561.21849 5.857 - - Homoarbutin 285.09783 5.32 - - Phenolphthalin 319.09678 5.257 C14223 - Cistanoside F 487.146 5.316 - - Diospyrososide 491.17725 6.003 - - Officinoside D 545.29758 6.775 - - Aquilegioside G 811.44856 5.945 - - Schizonepetoside E 347.17131 5.828 C17638 - Semilepidinoside B 365.13493 5.33 - - 2-epi-25-Methyldolichosterone 475.34303 11.27 - - Alisol P 519.33334 7.243 - - 3beta-Hydroxysolanascone beta-sophoroside 557.26066 6.018 - - Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside 621.14685 5.61 - - 1,2-Dihydroxy-7-hydroxymethylnaphthalene 189.05586 5.287 C14105 - 11beta,13-dihydro-8-deoxylactucin 15-oxalate 333.09827 5.93 - 121225504 Ciprostene 363.25381 8.138 - - Isoconiferinoside 503.17635 6.265 - - Lethedioside B 651.19386 5.726 - - 3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone 361.0568 5.668 - - 2alpha-Hydroxytirotundin 367.17598 5.595 - - Pregnenolone-3,21-disulfate 491.14098 5.228 - - Scrophuloside A1 535.18283 5.522 - - Hamabiwalactone B 261.18609 6.979 - - Dihydrosyringin 373.15067 6.484 - - 2,3,5-Trimethoxy-6-(1E)-1-propenyl-2,5-cyclohexadiene-1,4-dione 237.07685 5.843 - - N-Benzyloxycarbonylglycine 208.06157 5.61 C03710 - Helicid 283.08242 5.287 - - Monotropein 389.10946 5.097 C09788 - Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside) 475.0889 5.228 - - Molludistin 2''-O-rhamnoside 561.16164 5.697 - - Kankanoside D 317.16066 5.77 - - Tricrozarin A 293.03062 5.316 C10406 - 6'-O-beta-Apiofuranosylsweroside 489.16123 5.843 - - Glu-Asp-Ile 374.15719 5.035 - - Bispyribac 429.10421 5.287 C10915 - 4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone 357.13435 5.551 - - Aspulvinone E 295.06142 2.569 C02006 - Sibiricose A1 547.16718 5.429 - - 2-hydroxyeriodictyol 303.05111 4.857 - - Methyl-4-O-caffeoylquinate 367.10382 5.345 - - Plumiepoxide 485.13042 5.639 - - docosyl ferulate 501.39539 11.539 - - Moracin N 309.11305 5.537 - - Ascocorynin 307.06162 1.344 - - Sedumoside E2 521.29633 6.716 - - Picraquassioside A 397.11425 5.463 - - Brosimacutin G 355.1183 5.639 - - Demethylligstroside 509.16682 5.977 - - Leu Ile Asn 357.2147 5.199 - - Epigallocatechin 3-O-cinnamate 435.10939 5.272 - - 5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 405.08254 5.272 - - Puertitol B acetate 375.07312 2.16 - - Mollugoside 417.10437 5.301 - - Angeloside 347.13492 6.163 - - Racemosic acid 515.14153 5.36 - - Disyfolide 447.16669 5.595 - - Lopholide 445.15094 5.726 - - Ala-Leu-Ala-Pro 369.21337 10.439 - - 1-Nitro-5,6-dihydroxy-dihydronaphthalene 206.04599 5.184 C14801 - Leu-Ala-Asp 316.15154 5.023 - - 4-Methylumbelliferone glucuronide 351.07256 5.287 C11584 - Tensyuic acid C 271.11887 5.981 - - Polygalatenoside D 475.14609 5.139 - - 5-Hydroxy-7,8,2'-trimethoxyflavone 5-glucoside 489.14053 5.711 - - Premnaionoside 519.24444 6.352 - - 6,8-Di-C-alpha-L-arabinopyranosylapigenin 533.13058 5.61 - - Rhusemialin B 757.27056 5.58 - - Gusanlungionoside C 517.26544 5.901 - - Dracunculifoside Q 543.20735 6.484 - - N-Ac-Tyr-Val-Ala-Asp-CHO 491.21384 5.668 - - Sargachromanol G 425.27036 9.244 - - 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone 4-glucoside 491.15625 5.857 - - Glutamyl-glutamic acid 275.08857 1.435 C01425 - Vicolide C 439.19791 6.906 - - Agnucastoside B 543.24546 6.105 - - 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside 505.17187 6.018 - - 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-glucoside 521.13057 5.843 - - Dichotosinin 477.17684 5.537 - - Myricetin 7,4'-dimethyl ether 345.06195 5.287 - - Lyoniol D 427.23402 6.527 - - Fenitropan 280.08281 5.595 C18938 - Xanthocillin X monomethyl ether 301.09843 5.93 - - Catalpol 361.1136 5.184 C09773 - Cistanoside C 637.21435 5.552 - - 6,8-Di-C-arabionopyranosylluteolin 549.12589 5.741 - - 8-C-beta-D-Galactopyranosylapigenin 431.09864 6.44 - - N-Methylurabaine 569.24544 5.551 - - Vitexin 2''-O-rhamnoside 6''-acetate 619.16756 5.828 - - 13-O-Methylvernojalcanolide 8-O-acetate 469.17184 5.887 - - alpha-Kudinlactone 467.31707 8.991 - - (Indol-3-yl)acetamide 173.07206 5.035 C02693 - 6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside 551.14128 5.389 - - Ile Leu Glu 372.2142 5.33 - - Polygonatoside B 929.43892 6.003 - - 24-epi-Makisterone A 493.3174 10.588 - - Thonningine A 421.09311 5.316 - - TXB1 371.24411 7.052 - - Nicotyrine 157.0771 5.435 C10161 - S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine 251.05234 1.314 C17242 - Lamiide 421.13574 4.849 C11644 - Asp-Leu-Val-Ser 431.21475 5.316 - - 2-hydroxy-1-phenanthryl beta-D-glucopyranoside 371.11334 5.566 - - Shatavarin VIII 1033.52168 7.258 - - 6'-O-E-Feruloylmonotropein 565.15655 5.595 - - Dillenetin 3-rutinoside 637.17819 5.404 - - ISOPROPYL BETA-D-GLUCOPYRANOSIDE 221.10306 5.287 - - 4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy- 325.07179 5.624 - - Juniperoside II 313.12952 5.77 - - Scrophuloside B2 769.25659 5.36 - - Mollupentin 2''-O-rhamnoside 547.14634 5.932 - - 6-(3''-Oxobutyl)taxifolin 373.09308 5.537 - - 26-hydroxyhexacosanoic acid 411.38465 9.229 - - Methyl myristate 241.21731 9.935 - - Ser Ile Ser 304.15157 4.744 - - METABOLITES_END #END