#METABOLOMICS WORKBENCH juliehaines_20231215_122134 DATATRACK_ID:4527 STUDY_ID:ST003044 ANALYSIS_ID:AN004993 PROJECT_ID:PR001875
VERSION 1
CREATED_ON January 18, 2024, 8:26 am
#PROJECT
PR:PROJECT_TITLE A High-Fat Eucaloric Diet Induces Reprometabolic Syndrome of Obesity in Normal
PR:PROJECT_TITLE Weight Women
PR:PROJECT_SUMMARY Objective: We examined the effects of one month of a eucaloric, high-fat (48% of
PR:PROJECT_SUMMARY calories) diet (HFD) on gonadotropin secretion in normal weight women to
PR:PROJECT_SUMMARY interrogate the role of free fatty acids and insulin in mediating the relative
PR:PROJECT_SUMMARY hypogonadotropic hypogonadism of obesity. Methods: Eighteen eumenorrheic women
PR:PROJECT_SUMMARY (BMI 18-25 kg/m2) were studied in the early follicular phase of the menstrual
PR:PROJECT_SUMMARY cycle before and after exposure to a HFD with frequent blood sampling for LH and
PR:PROJECT_SUMMARY FSH, followed by an assessment of pituitary sensitivity to GnRH. Mass
PR:PROJECT_SUMMARY spectrometrybased plasma metabolomic analysis was also performed. Paired testing
PR:PROJECT_SUMMARY and time series analysis were performed as appropriate. Results: Mean endogenous
PR:PROJECT_SUMMARY LH (unstimulated) was significantly decreased after the HFD (4.3 ±1.0 vs 3.8 ±
PR:PROJECT_SUMMARY 1.0, P<0.01); mean unstimulated FSH was not changed. Both LH (10.1 ± 1.0 vs 7.2
PR:PROJECT_SUMMARY ± 1.0, P<0.01), and FSH (9.5 ± 1.0 vs 8.8 ± 1.0, P<0.01) response to 75 ng/kg
PR:PROJECT_SUMMARY of GnRH were reduced after the HFD. Mean LH pulse amplitude and LH interpulse
PR:PROJECT_SUMMARY interval were unaffected by the dietary exposure. Eucaloric HFD exposure did not
PR:PROJECT_SUMMARY cause weight change. Plasma metabolomics confirmed adherence with elevation of
PR:PROJECT_SUMMARY fasting free fatty acids (especially long-chain mono-, poly- and
PR:PROJECT_SUMMARY highly-unsaturated fatty acids) by the last day of the HFD. Conclusion:
PR:PROJECT_SUMMARY One-month exposure to a HFD successfully induced key reproductive and metabolic
PR:PROJECT_SUMMARY features of Reprometabolic Syndrome in normal weight women. Dietary factors may
PR:PROJECT_SUMMARY underly the gonadotrope compromise seen in obesity related subfertility and that
PR:PROJECT_SUMMARY therapeutic dietary interventions, independent of weight loss, may be possible.
PR:INSTITUTE University of Colorado Denver
PR:LABORATORY Lab of Angelo D'Alessandro in collaboration with lab of Nanette Santoro
PR:LAST_NAME Haines
PR:FIRST_NAME Julie
PR:ADDRESS 12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
PR:EMAIL julie.haines@cuanschutz.edu
PR:PHONE 3037243339
#STUDY
ST:STUDY_TITLE A High-Fat Eucaloric Diet Induces Reprometabolic Syndrome of Obesity in Normal
ST:STUDY_TITLE Weight Women - lipidomics
ST:STUDY_SUMMARY Lipidomics analysis was performed on plasma from human female subjects before,
ST:STUDY_SUMMARY during, and after a high fat diet.
ST:INSTITUTE University of Colorado Denver
ST:LAST_NAME Haines
ST:FIRST_NAME Julie
ST:ADDRESS 12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
ST:EMAIL julie.haines@cuanschutz.edu
ST:PHONE 3037243339
#SUBJECT
SU:SUBJECT_TYPE Human
SU:SUBJECT_SPECIES Homo sapiens
SU:TAXONOMY_ID 9606
SU:GENDER Female
#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 203 DS1-28-02 Factor:On-diet RAW_FILE_NAME=DS1-28-02
SUBJECT_SAMPLE_FACTORS 205 DS1-28-05 Factor:On-diet RAW_FILE_NAME=DS1-28-05
SUBJECT_SAMPLE_FACTORS 213 DS1-28-08 Factor:On-diet RAW_FILE_NAME=DS1-28-08
SUBJECT_SAMPLE_FACTORS 215 DS1-28-11 Factor:On-diet RAW_FILE_NAME=DS1-28-11
SUBJECT_SAMPLE_FACTORS 216 DS1-28-14 Factor:On-diet RAW_FILE_NAME=DS1-28-14
SUBJECT_SAMPLE_FACTORS 221 DS1-28-17 Factor:On-diet RAW_FILE_NAME=DS1-28-17
SUBJECT_SAMPLE_FACTORS 226 DS1-28-20 Factor:On-diet RAW_FILE_NAME=DS1-28-20
SUBJECT_SAMPLE_FACTORS 233 DS1-28-26 Factor:On-diet RAW_FILE_NAME=DS1-28-26
SUBJECT_SAMPLE_FACTORS 235 DS1-28-29 Factor:On-diet RAW_FILE_NAME=DS1-28-29
SUBJECT_SAMPLE_FACTORS 246 DS1-28-35 Factor:On-diet RAW_FILE_NAME=DS1-28-35
SUBJECT_SAMPLE_FACTORS 247 DS1-28-38 Factor:On-diet RAW_FILE_NAME=DS1-28-38
SUBJECT_SAMPLE_FACTORS 252 DS1-28-43 Factor:On-diet RAW_FILE_NAME=DS1-28-43
SUBJECT_SAMPLE_FACTORS 258 DS1-28-46 Factor:On-diet RAW_FILE_NAME=DS1-28-46
SUBJECT_SAMPLE_FACTORS 253 DS1-28-49 Factor:On-diet RAW_FILE_NAME=DS1-28-49
SUBJECT_SAMPLE_FACTORS 250 DS1-28-41 Factor:On-diet RAW_FILE_NAME=DS1-28-41
SUBJECT_SAMPLE_FACTORS 260 DS1-28-52 Factor:On-diet RAW_FILE_NAME=DS1-28-52
SUBJECT_SAMPLE_FACTORS 263 DS1-28-54 Factor:On-diet RAW_FILE_NAME=DS1-28-54
SUBJECT_SAMPLE_FACTORS 264 DS1-28-56 Factor:On-diet RAW_FILE_NAME=DS1-28-56
SUBJECT_SAMPLE_FACTORS 203 DS1-28-03 Factor:Post-diet RAW_FILE_NAME=DS1-28-03
SUBJECT_SAMPLE_FACTORS 205 DS1-28-06 Factor:Post-diet RAW_FILE_NAME=DS1-28-06
SUBJECT_SAMPLE_FACTORS 213 DS1-28-09 Factor:Post-diet RAW_FILE_NAME=DS1-28-09
SUBJECT_SAMPLE_FACTORS 215 DS1-28-12 Factor:Post-diet RAW_FILE_NAME=DS1-28-12
SUBJECT_SAMPLE_FACTORS 216 DS1-28-15 Factor:Post-diet RAW_FILE_NAME=DS1-28-15
SUBJECT_SAMPLE_FACTORS 221 DS1-28-18 Factor:Post-diet RAW_FILE_NAME=DS1-28-18
SUBJECT_SAMPLE_FACTORS 226 DS1-28-21 Factor:Post-diet RAW_FILE_NAME=DS1-28-21
SUBJECT_SAMPLE_FACTORS 233 DS1-28-27 Factor:Post-diet RAW_FILE_NAME=DS1-28-27
SUBJECT_SAMPLE_FACTORS 235 DS1-28-30 Factor:Post-diet RAW_FILE_NAME=DS1-28-30
SUBJECT_SAMPLE_FACTORS 246 DS1-28-36 Factor:Post-diet RAW_FILE_NAME=DS1-28-36
SUBJECT_SAMPLE_FACTORS 247 DS1-28-39 Factor:Post-diet RAW_FILE_NAME=DS1-28-39
SUBJECT_SAMPLE_FACTORS 252 DS1-28-44 Factor:Post-diet RAW_FILE_NAME=DS1-28-44
SUBJECT_SAMPLE_FACTORS 258 DS1-28-47 Factor:Post-diet RAW_FILE_NAME=DS1-28-47
SUBJECT_SAMPLE_FACTORS 253 DS1-28-50 Factor:Post-diet RAW_FILE_NAME=DS1-28-50
SUBJECT_SAMPLE_FACTORS 203 DS1-28-01 Factor:Pre-diet RAW_FILE_NAME=DS1-28-01
SUBJECT_SAMPLE_FACTORS 205 DS1-28-04 Factor:Pre-diet RAW_FILE_NAME=DS1-28-04
SUBJECT_SAMPLE_FACTORS 213 DS1-28-07 Factor:Pre-diet RAW_FILE_NAME=DS1-28-07
SUBJECT_SAMPLE_FACTORS 215 DS1-28-10 Factor:Pre-diet RAW_FILE_NAME=DS1-28-10
SUBJECT_SAMPLE_FACTORS 216 DS1-28-13 Factor:Pre-diet RAW_FILE_NAME=DS1-28-13
SUBJECT_SAMPLE_FACTORS 221 DS1-28-16 Factor:Pre-diet RAW_FILE_NAME=DS1-28-16
SUBJECT_SAMPLE_FACTORS 226 DS1-28-19 Factor:Pre-diet RAW_FILE_NAME=DS1-28-19
SUBJECT_SAMPLE_FACTORS 233 DS1-28-25 Factor:Pre-diet RAW_FILE_NAME=DS1-28-25
SUBJECT_SAMPLE_FACTORS 235 DS1-28-28 Factor:Pre-diet RAW_FILE_NAME=DS1-28-28
SUBJECT_SAMPLE_FACTORS 246 DS1-28-34 Factor:Pre-diet RAW_FILE_NAME=DS1-28-34
SUBJECT_SAMPLE_FACTORS 247 DS1-28-37 Factor:Pre-diet RAW_FILE_NAME=DS1-28-37
SUBJECT_SAMPLE_FACTORS 252 DS1-28-42 Factor:Pre-diet RAW_FILE_NAME=DS1-28-42
SUBJECT_SAMPLE_FACTORS 258 DS1-28-45 Factor:Pre-diet RAW_FILE_NAME=DS1-28-45
SUBJECT_SAMPLE_FACTORS 253 DS1-28-48 Factor:Pre-diet RAW_FILE_NAME=DS1-28-48
SUBJECT_SAMPLE_FACTORS 250 DS1-28-40 Factor:Pre-diet RAW_FILE_NAME=DS1-28-40
SUBJECT_SAMPLE_FACTORS 260 DS1-28-51 Factor:Pre-diet RAW_FILE_NAME=DS1-28-51
SUBJECT_SAMPLE_FACTORS 263 DS1-28-53 Factor:Pre-diet RAW_FILE_NAME=DS1-28-53
SUBJECT_SAMPLE_FACTORS 264 DS1-28-55 Factor:Pre-diet RAW_FILE_NAME=DS1-28-55
#COLLECTION
CO:COLLECTION_SUMMARY Blood samples were collected from consented study subjects and plasma isolated
CO:COLLECTION_SUMMARY according to standard clinical laboratory protocols.
CO:SAMPLE_TYPE Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY This study was a clinical trial (NCT02653092) and was approved by the Colorado
TR:TREATMENT_SUMMARY Multiple Institutional Review Board (COMIRB). All participants provided informed
TR:TREATMENT_SUMMARY consent. Women aged 18-38 with menstrual cycles 25-35 days in length and no use
TR:TREATMENT_SUMMARY of reproductive hormones within 3 months of enrollment were eligible for the
TR:TREATMENT_SUMMARY study. Additional eligibility criteria included: a) no history of chronic
TR:TREATMENT_SUMMARY disease affecting hormone production, metabolism, or clearance and no use of
TR:TREATMENT_SUMMARY medications known to interact with reproductive hormones or insulin metabolism;
TR:TREATMENT_SUMMARY b) normal screening prolactin and TSH; c) normal hemoglobin A1c; d) hemoglobin >
TR:TREATMENT_SUMMARY 11 g/dl at screening; e) use of reliable non-hormonal contraception throughout
TR:TREATMENT_SUMMARY the study period. Because the goal was to investigate the effects of a high-fat
TR:TREATMENT_SUMMARY diet, women with a baseline dietary assessment indicative of >40% calories from
TR:TREATMENT_SUMMARY fat were excluded, as were women who were unable to comply with the protocol,
TR:TREATMENT_SUMMARY which involved eating only foods provided by the Colorado Clinical and
TR:TREATMENT_SUMMARY Translational Sciences Institute’s (CCTSI) Nutrition Services. Because of the
TR:TREATMENT_SUMMARY restrictions on their ability to consume animal or dairy fats, vegans and
TR:TREATMENT_SUMMARY lactose intolerant individuals were excluded. Cycle 1 was a baseline cycle;
TR:TREATMENT_SUMMARY Cycle 2 entailed consumption of the high-fat diet which was continued until
TR:TREATMENT_SUMMARY frequent blood sampling was completed in the early follicular phase of Cycle 3.
TR:TREATMENT_SUMMARY Cycle 3 was the immediate post-high-fat-diet cycle and Cycle 4 was a recovery
TR:TREATMENT_SUMMARY cycle. Participants underwent baseline and end-of-diet assessments of
TR:TREATMENT_SUMMARY gonadotropin dynamics. A 6-hour frequent blood sampling study was performed to
TR:TREATMENT_SUMMARY determine endogenous LH and FSH secretion (Time 0-240 minutes) and concluded
TR:TREATMENT_SUMMARY with a physiologic bolus of 75 ng/kg GnRH to assess pituitary responsiveness
TR:TREATMENT_SUMMARY (Time 240-360 minutes). Frequent sampling studies for gonadotropin determination
TR:TREATMENT_SUMMARY were all performed in the early follicular phase of the menstrual cycle (cycle
TR:TREATMENT_SUMMARY days 2-5). Participants were also seen weekly during the high-fat diet cycle and
TR:TREATMENT_SUMMARY had a blood draw to assess compliance. High-fat diet protocol. Participants
TR:TREATMENT_SUMMARY completed a food preference screening survey and a 3-day diet diary, which
TR:TREATMENT_SUMMARY estimated their daily caloric intake and approximate proportion of daily
TR:TREATMENT_SUMMARY calories derived from fat. Participants were provided with a customized
TR:TREATMENT_SUMMARY eucaloric high-fat diet comprised of approximately 48% calories from fat, 33%
TR:TREATMENT_SUMMARY calories from carbohydrates and 19% calories from protein. Food was portioned
TR:TREATMENT_SUMMARY into individual meals with snacks and boxed into 3-4 days’ worth at a time.
TR:TREATMENT_SUMMARY Participants picked up food directly from the Clinical and Translational
TR:TREATMENT_SUMMARY Research Center; when this was not possible, study staff delivered food to the
TR:TREATMENT_SUMMARY participant. Urinary ketones were measured at each frequent blood sampling
TR:TREATMENT_SUMMARY session (Siemens Healthineers, Malvern, PA). During administration of the
TR:TREATMENT_SUMMARY high-fat diet, blood samples were drawn weekly for metabolomic analysis to
TR:TREATMENT_SUMMARY determine compliance with the protocol.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Lipids from 10 uL of plasma were extracted with 90 uL of cold methanol. Samples
SP:SAMPLEPREP_SUMMARY were briefly vortexed at room temp then incubated at -20 C for 30 min.
SP:SAMPLEPREP_SUMMARY Supernatants were clarified by centrifugation (10 min, 10,000 g, 4 degrees C)
SP:SAMPLEPREP_SUMMARY and transferred to autosampler vials.
SP:PROCESSING_STORAGE_CONDITIONS 4℃
SP:EXTRACT_STORAGE -80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY Negative C18
CH:CHROMATOGRAPHY_TYPE Reversed phase
CH:INSTRUMENT_NAME Thermo Vanquish
CH:COLUMN_NAME Phenomenex Kinetex C18 (30 x 2.1mm,1.7um)
CH:SOLVENT_A 75% water/25% acetonitrile; 5 mM ammonium acetate
CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 5 mM ammonium acetate
CH:FLOW_GRADIENT 0-3 min 10-95% B at 0.3 mL/min, 3-4.2 min hold at 95% B at 0.3 mL/min, 4.2-4.3
CH:FLOW_GRADIENT min drop to 10% B at 0.45 mL/min, 4.3-4.9 min hold at 10%B while lowering flow
CH:FLOW_GRADIENT rate to 0.4 mL/min, 4.9-5 min hold at 10%B while lowering flow rate to 0.3
CH:FLOW_GRADIENT mL/min.
CH:FLOW_RATE 0.3-0.4 ml/min
CH:COLUMN_TEMPERATURE 45
CH:SAMPLE_INJECTION 10 uL
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE Orbitrap
MS:MS_TYPE ESI
MS:ION_MODE NEGATIVE
MS:MS_COMMENTS The Q Exactive was run independently in positive and negative ion mode, scanning
MS:MS_COMMENTS using full MS from 125-1500 m/z at 70,000 resolution and top 10 data-dependent
MS:MS_COMMENTS MS2 at 17,500 resolution. Electrospray ionization was achieved with 45 Arb
MS:MS_COMMENTS sheath gas, 25 Arb auxiliary gas, and 4 kV spray voltage. Calibration was
MS:MS_COMMENTS performed prior to the run using the PierceTM Positive and Negative Ion
MS:MS_COMMENTS Calibration Solutions (Thermo Fisher Scientific). Run order of samples was
MS:MS_COMMENTS randomized and technical replicates were injected after every 4 samples to
MS:MS_COMMENTS assess quality control.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS peak area
MS_METABOLITE_DATA_START
Samples DS1-28-02 DS1-28-05 DS1-28-08 DS1-28-11 DS1-28-14 DS1-28-17 DS1-28-20 DS1-28-26 DS1-28-29 DS1-28-35 DS1-28-38 DS1-28-43 DS1-28-46 DS1-28-49 DS1-28-41 DS1-28-52 DS1-28-54 DS1-28-56 DS1-28-03 DS1-28-06 DS1-28-09 DS1-28-12 DS1-28-15 DS1-28-18 DS1-28-21 DS1-28-27 DS1-28-30 DS1-28-36 DS1-28-39 DS1-28-44 DS1-28-47 DS1-28-50 DS1-28-01 DS1-28-04 DS1-28-07 DS1-28-10 DS1-28-13 DS1-28-16 DS1-28-19 DS1-28-25 DS1-28-28 DS1-28-34 DS1-28-37 DS1-28-42 DS1-28-45 DS1-28-48 DS1-28-40 DS1-28-51 DS1-28-53 DS1-28-55
Factors Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:On-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Post-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet Factor:Pre-diet
Visnagin 4.81E+04 8138.007863 326612.6336 20786.1151 67200.63755 920824.0294 526522.3383 53323.33537 72391.0882 28111.36082 9977.64555 200074.5832 66318.23012 3110.063075 8642.404294 18409.16019 54386.36588 162778.622 13658.46352 24403.3838 5704.729833 133925.8538 146825.4613 5904.493996 8353.596735 36668.65131 4377.116271 332838.6596 80290.92707 33206.14395 28651.55778 39201.74069 3604.358079 11757.40573 7798.998316 24428.12113 56493.91111 147699.5435 32540.32034 18258.37706 3051.579342 3394.12443 745082.4729 75838.23415 7205.685941 8909.016475 3301.384072 16877.47079 3338.097339 289593.1431
Typhasterol 2.43E+05 316086.9795 464437.9443 245166.3673 762922.831 3543381.294 944324.679 242194.7237 1230688.008 305822.99 1116565.405 1054813.224 492484.691 44643.69439 191576.7419 467757.4953 409140.2987 705205.0782 103058.9781 407058.3357 220047.7096 607033.6134 1161476.711 802582.6644 695019.5337 811385.8401 83463.9722 1273328.734 1856296.736 76760.78438 58615.08271 210345.2783 148078.7611 349983.2012 1092344.562 674380.6455 2235698.48 1191870.282 1268841.127 725549.5193 84078.68465 153912.6645 1031767.997 764134.6293 447392.7905 168917.9737 239047.4233 1712352.022 423517.4533 1131215.269
turkesterone 4.27E+04 5909.982228 297750.3761 38951.38064 141513.639 241605.3773 20568.68568 61049.57655 392922.7655 101803.2577 265855.8539 210392.0953 56583.16742 4208.148094 157814.4646 36610.57736 51180.06681 192658.8629 3981.987065 26684.2412 7482.614774 14816.93518 18478.84974 10969.88912 32555.88398 42816.87618 6999.50787 55564.50311 32924.49709 4589.281667 4096.4989 12077.47629 14593.54251 11852.53533 198826.3084 41935.93828 106441.6164 25152.64116 43642.43396 62606.07491 5219.263301 11508.03851 23710.84477 41332.64648 64822.87447 9965.112035 112990.5507 86141.30317 35360.15391 116406.8595
Tricosylic acid 4.64E+05 485462.1931 525298.2604 243670.0902 481376.5475 1516678.87 387476.0114 198123.8149 776318.4928 468130.1925 706146.5756 567582.029 225027.8385 36978.33351 180109.9753 197542.673 672570.6106 891560.708 96608.71609 411271.3118 280331.814 849621.3318 1163219.633 476094.7818 429840.5129 808141.9397 129818.6287 1727009.149 771199.5105 106029.7255 20672.95472 190391.3956 222214.2025 301517.3358 923043.6059 577004.5132 933547.2184 835960.1135 796179.7367 563570.9018 65597.92561 156264.7126 505914.4685 958636.9484 387670.5852 273610.338 371992.9752 691039.9763 1266217.992 644678.7714
Tocopherol 3.51E+05 146835.3595 265864.0376 114093.4252 93800.77081 363846.3854 266955.4422 83298.24278 637504.0163 255782.4215 297907.2302 335445.1017 74915.74847 15283.24397 302222.8861 40514.55069 139348.5085 374701.3793 54359.78844 63636.22638 229637.792 473861.6864 303842.9224 147924.5878 269557.0207 323367.3238 46197.28141 286763.2197 453836.6141 27955.16067 16132.41009 108652.5479 286439.6252 124376.206 480586.1843 272854.3631 331210.9079 313542.8293 395670.6248 424716.0582 19540.39581 46767.55307 301979.4969 325102.2433 108074.1336 112751.7323 380463.8601 564001.196 173986.4881 581165.9027
thuwalenyne A 7.57E+05 576959.5765 2398706.18 213424.994 1172876.43 3128369.663 1419914.896 510372.2985 2887725.861 1079173.651 5502796.67 2426969.059 225981.489 129517.7324 1601061.795 377749.4272 1255158.807 1169468.185 202639.3216 171971.4528 203240.385 931202.0221 923263.8534 424672.6016 527720.3738 1104164.433 1027109.182 736467.7688 1340038.106 242573.544 159939.0112 630682.4317 535407.0249 2480500.11 1398073.977 836078.86 2943037.123 1802820.889 1035515.359 370074.0968 255444.5147 264814.4507 2012185.295 3093667.667 448654.2583 857119.094 1808043.356 1467443.558 440681.8268 1417092.71
THREONIC ACID, L- 7.89E+05 307508.1272 756305.6274 352269.7214 537959.3854 802383.5371 731658.5384 240056.5066 655121.6322 328138.7239 382480.3149 546968.2352 236894.8347 58460.2969 989497.8095 327530.5881 564275.189 642060.5278 287142.279 947970.5863 477094.2913 601157.1327 529253.4052 456019.0009 481210.8793 797012.8103 191082.0859 753550.6535 677368.0947 239330.8129 210190.7048 373828.3778 611830.7118 441791.7275 926220.5054 431651.9531 1151357.333 362079.9115 793839.0718 418494.9232 149282.6954 154757.8122 322758.1976 702437.8281 310131.7468 383763.6281 691396.9134 929057.5332 535756.8418 941007.4742
Tetrahydro-11-deoxycortisol 4.97E+05 284829.7727 151962.7691 150340.8069 423098.3034 269604.7514 506383.7838 113816.9004 707957.7637 349094.657 388196.3057 370000.6568 108663.4642 21936.00766 242484.8727 167895.4322 218546.4244 431770.8039 77708.94493 219672.1953 438516.5277 838255.0345 654873.0249 663075.6087 656807.3057 668427.2695 101391.1109 474226.1537 769805.2577 90891.73432 32326.72337 198051.1624 353767.7642 209688.5977 453639.603 213073.0453 459202.1877 358441.8657 633449.9084 434827.5763 52362.98906 40349.74636 419912.6843 282857.2737 112746.073 214820.9428 479819.1765 368404.1029 241670.0598 824634.6977
Tetradecanedioic acid 5.20E+04 15507.5626 117076.4933 89688.97422 40844.69687 95743.78729 130012.8075 17231.14467 126372.8822 19190.70412 40345.98882 77845.13547 19226.83948 12981.37579 51955.71084 25234.30512 33393.61571 61753.54831 27261.50233 62676.14711 82071.57236 155055.1136 29992.60382 34233.95502 60823.15651 124752.2128 15360.95474 63384.83638 50252.61624 16885.90663 13318.95027 27404.64182 85132.78759 16954.92442 139624.7695 70979.06851 84151.09098 27675.86738 95026.04912 35713.22049 23025.18935 23919.79369 33308.17488 54928.42512 17575.39676 46920.0209 122798.2899 78435.07075 79281.56983 316680.5957
Tetracosanedioic acid 4.70E+04 113584.6128 90121.49555 114211.471 90401.03295 292241.34 106026.5611 105083.0654 209569.6693 128915.9284 96556.26306 165894.3769 100792.424 26449.98323 83711.45173 93953.08986 86029.32865 99953.86611 62985.98229 101855.6334 59075.21681 146754.1198 199035.6667 92545.01646 123287.9402 113982.3463 31708.35986 356467.7527 120063.2525 73236.48885 146773.8474 99047.58344 71043.51788 73394.87958 204310.6993 148951.9494 235563.8235 149160.5443 184972.0338 172892.8944 84411.88106 73721.92835 111047.1197 117511.5047 101483.9471 76857.70666 67706.43499 222249.4596 122449.6446 185125.9883
taurolithocholic acid sulfate 1.49E+05 20546.59182 206382.1726 81843.07452 42073.72682 148633.3874 27459.20181 22812.31638 84281.90663 4430.18704 107815.0903 163163.7393 8453.379964 3298.257089 132125.8497 9785.411977 76688.86049 37900.26447 21218.93558 10532.76201 14819.06051 71333.36265 63955.35955 13724.30418 12313.37098 96771.22824 16231.3738 40897.4656 145059.2992 36895.28332 3251.548398 11204.8095 67810.10194 13007.71511 510041.1139 102750.6043 59728.56151 49012.69922 37310.71641 14405.78154 4002.81026 3174.692043 74363.59936 43646.73053 3182.061658 13997.85927 43061.46707 67920.01922 27549.3261 26054.34972
Taurochenodeoxycholic acid 3.37E+04 4442.086224 453360.5076 17254.16023 117420.0953 203812.9156 66943.15342 3637.937076 4175.320341 15375.38438 24206.75801 40218.97438 3621.822912 3726.171063 20460.76505 5074.545964 51343.78138 4078.414457 9976.924442 3497.524186 5042.771459 32553.55859 5057.42023 22491.62351 75538.83176 7270.926378 3510.678413 308888.0683 73841.73695 10026.28321 3619.076217 7904.967134 14916.54623 7071.428396 363025.8067 71275.61654 240632.215 57031.93935 57300.69136 4565.375558 3439.61629 8388.74915 18177.29506 9596.621351 24052.11743 3707.002116 4590.851835 19538.11875 81367.36009 4005.224861
Sulfoglycolithocholic acid 2.52E+05 112823.3121 725367.8428 190354.5707 39231.9192 377144.6719 92757.13104 79351.84148 264475.9021 26216.07669 585710.3358 462078.9247 47325.42291 7190.553274 379666.3675 49467.4795 249964.3217 473404.3957 178971.9382 74717.05414 59231.11465 253550.0729 62043.33695 19511.22584 50711.86631 752614.407 27023.20243 114505.4487 828143.2958 72001.96161 12725.5115 25286.80584 404223.8596 67784.81476 1192043.941 222278.4767 217012.1027 80415.98726 137404.4101 123416.9591 24325.67398 7319.49606 689542.883 136909.0335 32180.8181 27387.71914 347115.8261 220651.6726 132067.6223 843088.7488
ST(d34:1+O) 5.43E+05 498409.6482 579883.0776 299695.1637 407014.2574 939323.4696 704109.985 284249.1951 1304614.722 474974.1785 606416.2777 1031692.58 245953.7586 29236.65436 791810.8227 107665.4822 412408.0577 527859.2129 115483.2973 381059.7367 481197.2729 1199490.11 1141576.756 383475.6905 825754.7932 1006503.838 219197.9846 713227.747 795102.3989 93832.45943 33616.78163 236276.8669 349611.1687 501981.6042 772462.6074 696671.8753 929047.7569 686031.464 1152025.661 657451.2723 83773.77772 111674.1642 354216.8549 871595.8868 385141.8587 255393.143 762188.8299 774411.1447 269109.5081 643375.9858
SM(d44:2) 6.38E+04 22603.74666 152101.6639 9536.747341 41273.53226 76866.2693 39733.78891 31894.3019 93576.24325 21348.17565 68766.03985 60653.50199 3772.540232 15316.16858 73577.88455 4784.354858 17887.08742 30150.43206 17015.92718 18274.64854 51172.32823 67866.03928 221217.1032 28235.65008 29058.11867 50198.29732 56317.10457 29639.2931 104489.3348 6451.595156 3030.421157 67010.42751 107191.5727 82474.52952 79065.53683 47732.54673 566544.0577 46443.66162 149092.7916 208407.1901 4869.965978 100645.9589 166639.6641 432312.1454 5351.869054 35781.13729 170412.0526 389903.7431 41201.17289 362184.3924
SM(d42:3) 1.85E+05 232179.872 189961.186 298684.3096 164723.6895 643935.5294 501368.66 55681.8341 553907.2957 881318.4106 302817.2464 451535.7807 197726.7078 26123.87467 149697.0328 40758.85024 201416.5001 283370.8789 37738.98172 148224.4295 162010.2586 1184120.781 510934.957 193731.3536 631904.5872 204810.5981 70771.55227 1047461.178 566383.2025 64816.66583 30067.12536 91304.39278 133075.1137 311038.8716 459229.4481 348023.0675 182952.3536 513813.8734 483991.2916 229665.2473 9501.867958 100061.0484 95916.21862 309380.8654 132179.0248 54454.90259 129257.459 420670.5751 171206.8699 106866.0028
SM(d41:2) 2.49E+06 1848565.19 2238751.337 1393811.849 1965652.688 3171102.858 2597965.468 1203885.187 3997084.822 2312819.516 2575423.677 2734394.909 1110312.223 218538.3303 3462317.988 854628.5741 2058413.996 2324454.678 693783.3865 1419523.671 2280150.893 3533988.124 4327630.617 1897407.593 2303236.601 3511382.633 942534.1068 3091114.216 4098946.357 655061.8377 252204.3529 1184609.488 2071915.548 1831275.333 2443973.315 2533343.027 2872001.069 3001614.277 3376019.553 2592307.832 590166.1463 718320.9599 1892693.048 2558863.712 1652702.969 1199167.432 2978837.966 3099077.859 1878218.51 2385875.193
SM(d41:1) 1.60E+06 817821.9116 1490061.974 662736.3249 806835.1797 2522386.874 1209052.414 608615.1038 1984402.756 1512882.763 1434510.017 1948881.489 560585.147 81040.19567 1917475.781 478125.9037 1371269.111 1243185.175 415371.7963 938045.2711 1147183.286 2528457.82 1740789.353 1316828.471 1333365.539 1847460.521 419878.8056 1656087.205 1993667.128 363034.622 109481.3206 490492.0719 881226.5407 900787.2261 1665745.61 1614180.055 1554549.467 2132013.477 1787615.296 1434819.479 199589.0283 379919.651 937522.3711 1803148.831 687784.8807 608992.5963 1524681.662 2035388.059 1040966.023 1436132.066
SM(d40:2) 4.27E+07 20890667.5 29801722.86 18458656.47 22028258.92 55167046.54 41091696.29 17629908.09 42930538.57 34927032.81 24956037.96 43400774.72 12713992.66 2684558.428 57543627.44 11083493.86 30509508.37 42700179.74 10542701.84 14997243.51 30300416.33 35805352.03 41287503.66 30978415.75 35523986.69 50731188.64 11006696.04 29859930.11 50095717.28 7295247.921 2969980.667 14195550.47 24862023.78 23295739.89 45892903.43 33823875.92 44241758.87 52141545.95 41718218.82 37134590.13 5585545.137 11144493.67 30013905.15 27413386.32 18049487.05 14583103.97 34145123.57 49716785.18 26037069.42 38781563.61
SM(d38:1) 2.14E+05 90629.74122 211311.5241 94731.88077 116181.9941 303231.1079 133708.8409 77533.48701 282912.5201 169251.5555 259290.1136 269144.6965 59628.10842 12870.53507 272059.4688 27482.5883 104296.7905 186577.9434 43324.52034 51266.91039 194759.0455 351718.6118 327474.3007 151891.4715 149004.3536 244932.6102 50821.44549 226021.7257 309675.1614 40093.4914 15562.11266 70936.3469 150455.6688 101388.6717 251086.73 196821.3226 251641.1899 304798.7084 220722.7988 250584.6884 20030.98576 38343.76307 169351.9374 271662.7262 118091.062 66951.07796 207795.8443 179946.5166 105104.8483 228397.3962
SM(d37:1) 4.42E+05 207938.2827 353503.3405 181606.0466 197854.8049 732469.8354 330664.553 154121.2382 433231.7483 408844.3566 465326.5129 509098.8328 137868.4588 21311.199 487402.4444 92917.62135 303921.9908 445310.7354 88566.58168 174017.0138 389771.0296 700445.8144 552444.8431 368212.9376 350915.2572 730968.7396 102868.0731 466696.0649 429938.0593 87194.10827 26497.38225 146043.2719 239763.4115 207722.06 558423.0916 429572.9817 440458.2902 645562.776 481102.2063 526009.1355 41330.7139 88530.81268 322904.5997 523836.5214 201453.011 150955.0541 522918.691 452015.5106 217516.7411 485909.572
SM(d36:2) 2.52E+05 206580.1257 244144.9673 170194.6452 212316.0754 318618.7601 281813.0019 148321.9082 431709.4704 258575.5182 291893.2677 303910.1933 123867.0666 31250.17919 313397.2338 119349.5891 241366.3784 266175.9111 92506.92332 167426.1327 247683.2683 385910.0819 346433.7291 237847.6346 268472.2166 375273.5723 142727.7601 359161.0377 400040.7804 89644.63956 29416.0319 134311.2438 228925.7906 229815.4896 387068.643 327445.1486 353946.2514 350249.7731 355210.7985 309007.2527 59981.95004 99054.44135 274011.7981 302947.0361 180707.5852 143333.2423 313634.4046 310297.7367 218416.3362 283274.6057
SM(d35:2) 8.85E+05 481743.5177 780198.8055 286712.233 569636.2136 868680.5491 1186091.112 363134.899 1464514.649 625741.7827 1620086.906 1613456.206 189654.4623 61342.15861 803723.3386 256462.8847 473103.2851 604804.8483 104859.7063 382445.8453 673786.8092 1761259.321 1781201.073 434988.7015 1058811.815 1681841.231 247527.7597 1402820.159 2302077.334 153302.8277 67601.79547 244059.3625 516535.7098 502629.3649 944565.8541 966009.4485 1321116.196 1176274.087 1255498.427 658040.1 149815.5709 155791.4012 820143.6415 1625936.689 336700.0088 231048.0621 968865.668 1026710.857 515267.6265 808319.8825
SM(d35:1) 1.86E+07 10541736.88 5313529.446 3672617.838 14150538.83 19510202.54 12907180.22 10634942.61 25913941.72 15315210.28 30926161.41 20219310.49 8346557.537 709458.1301 5146935.11 3826257.056 4707094.684 8091797.378 4258702.1 8320982.756 5085729.403 14834590.84 25749171.89 12449729.68 18814945.98 28288873.59 6465307.896 28183001.88 35000589.59 4326401.214 1231829.665 7076168.071 5507875.324 13847527.61 7113452.33 19380364.43 17118268.32 12638216.53 19463618.8 20638187.19 823889.8701 5939114.009 9787854.581 18176487.31 6322626.415 2404304.908 6901678.358 7953150.398 3026325.63 6583131.262
SM(d32:1) 2.06E+05 113856.0471 175441.7616 59836.98918 149128.9473 288577.7367 219179.0796 68353.20337 299317.6416 166724.7898 248190.1244 253375.3339 53090.79585 13406.64762 250162.9687 39147.11529 112386.4347 169343.2531 42211.18782 92508.87021 167805.0778 230887.6579 315111.9887 155973.8178 199040.0209 250220.3805 63474.64788 292194.4501 330958.7366 24546.80778 5317.62804 78450.03338 143204.9543 131477.2355 252590.1679 160356.3222 271253.718 232134.4021 279048.2093 183998.0509 21683.30117 53687.77703 162421.8556 266788.3176 72983.1055 81005.44765 296233.6671 245292.0501 105919.7971 230589.2083
S-[(4R,5S,6E,8E,10Z,13Z,16Z)-1-Carboxy-4-hydroxy-6,8,10,13,16-nonadecapentaen-5-yl]-L-cysteinylglycine 3.65E+03 3427.707187 3430.58724 3428.55054 69311.34192 3398.593298 3336.206952 3620.285685 3406.868358 3461.148267 3368.798899 3535.482308 3561.861597 3531.145632 4119.604948 3631.527327 3403.193725 3355.031618 3333.183923 3485.212509 3388.882633 3422.573361 27452.32517 3502.989607 47875.58786 3494.09435 3361.817186 3519.934762 3391.165023 3442.394437 3596.966375 3456.24763 3447.478 31120.97364 5797.470657 3396.09979 350772.9207 3423.79647 3539.756802 3410.685539 3411.887614 11735.43702 3395.594601 3423.847373 170035.4219 3473.673311 3561.195497 3356.344427 3485.336097 41616.01517
Rifamycin B 2.18E+04 17571.81885 42872.06237 9523.990595 29217.76792 131796.3867 120808.9322 9144.458439 53524.72752 12785.7776 29046.18807 86432.84285 8875.596789 3918.980346 41876.85673 10763.01021 14593.86378 108161.7208 11047.04013 12025.27997 13075.19677 79763.42766 52553.83374 41769.32327 94136.37741 63858.62967 4875.972728 124863.8388 73130.61851 5355.372894 3849.784235 10430.8676 12481.76124 14142.02458 94443.03803 32370.9673 97746.28982 60143.31137 145398.3482 69637.87258 5467.32417 7891.083913 48218.39131 33999.96354 14097.16088 8282.263987 35036.71606 101829.0914 18457.37177 114143.3824
ricinelaidic acid 1.35E+05 72684.91112 133969.8431 117757.8147 134637.1275 125446.048 156239.8909 36457.95517 46174.20683 155444.7082 148729.5112 45718.93785 146668.8637 32957.03665 166483.8077 36488.30351 127215.7484 57335.53007 34143.21572 144120.7377 63988.86924 186236.4152 37392.08424 7017.393994 27666.79809 44820.71034 14911.07638 42626.07406 27660.16936 106280.2955 115103.0194 131987.2417 30911.88905 27407.32552 171817.8107 58502.74078 138512.0077 30730.78523 232032.3882 67642.83187 16160.18339 124052.4563 19189.42895 33055.92456 34243.39243 208659.3862 162837.3479 35515.66818 46008.89623 43786.35234
Rhodoxanthin 1.69E+05 141722.9605 117370.6153 112456.176 110136.9746 439426.214 396439.4224 105630.5433 390227.4459 148833.3356 519292.0252 384716.1564 44899.41131 14773.22001 320329.2063 35071.62819 125205.0581 158880.7477 34333.31122 78442.7721 124295.2317 463991.5945 302216.3373 186008.7831 407043.4141 378187.6996 56536.6808 270449.0637 670293.9447 37058.52896 5878.862862 107300.8176 133669.2204 127634.4115 235972.2576 262439.0155 259859.8196 376089.9818 590075.3814 674245.1436 25756.65744 46214.26016 381557.1694 292167.607 67908.60303 96439.49913 319874.3254 242997.2623 130382.5953 187085.3885
rhodoquinone 3.80E+07 16068475.02 25271439.76 16559776.4 17764548.96 53997171.82 27673669.41 14383623.3 39730759.73 31882102.49 33801213.12 10196494.6 9966783.825 2051085.794 39053851.47 8645949.484 23599101.23 32321963.35 8377353.708 12695180.38 25801228.89 11732606.47 38147476.21 7736040.628 25244190.48 44144479.58 7215019.667 8233365.229 44927345.92 6508533.607 2043505.382 12791300.52 21024120.48 16682205.03 35606333.51 33565016.56 35597412.5 46915481.67 32026450.14 28706611.44 3708600.812 8235004.299 21226254.2 35615943.7 12133273.6 11677735.07 35994282 37662194.21 18233847.84 29763683.4
Retinyl acetate 4.75E+06 357037.8099 1915817.909 1455389.279 2146363.432 2889246.304 4912097.185 448112.1866 4694677.697 2892279.274 2323727.662 4677808.318 884963.8731 80399.22167 3417534.358 1499434.994 2457220.508 2603775.391 1454744.908 519020.0478 1741003.806 6650373.222 3995481.412 1465170.731 3817773.951 4005216.662 476465.8096 6018758.665 5712991.835 918387.0268 373300.6946 808499.8201 2955689.438 496204.7553 5142440.659 2264530.21 3363870.511 1193983.98 5536872.877 5518798.3 239633.8579 446081.0769 2223927.727 4373515.362 2067484.963 753866.0453 2263143.049 2840174.914 1211111.841 8939976.882
rapanone 3.86E+04 56408.75284 45882.99174 50592.04749 97440.8095 43772.96588 59940.34085 43790.10708 97328.07735 59001.26671 40633.53052 77644.38376 35676.73133 27831.15148 70354.33109 33570.51133 52938.85497 60373.59243 28067.39653 43863.56627 70935.23586 75773.37854 154130.0174 32439.93314 40325.44869 60941.31979 32203.85998 73894.57246 64945.97493 30397.38814 31897.14823 41704.63751 45319.22445 62781.26544 66953.40966 56635.59681 131172.1376 31508.51214 57074.00685 74817.77452 26109.12151 27634.2515 46555.22793 81224.80989 46610.65446 40620.4561 60049.30896 76222.6756 55804.42229 81232.48367
PS(36:0e) 1.96E+06 1129133.157 1247252.738 813505.151 1173356.737 1928618.262 2267082.932 878609.6164 3015514.144 961516.9907 1262093.973 1770310.35 868764.4665 221220.9286 1828485.673 557015.0603 1577268.712 1779127.698 697420.2034 736313.5011 1402000.899 1481363.554 2905408.192 1310115.736 2138304.091 1969279.794 590732.419 1075284.766 1786968.092 465462.7693 205457.6945 943904.8985 1236506.966 951884.2317 1838593.43 1304569.456 2326006.943 1549251.694 2152066.525 1474145.733 350652.7546 375218.2376 1006391.638 2893003.155 1064857.802 923641.0663 1241505.49 1730624.694 1747361.98 1547385.444
PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 9.27E+05 854250.9422 9743.821912 768164.6186 917533.0818 1666541.092 2171608.9 620553.7406 2526321.723 1246388.059 1196287.412 3226102.113 652646.5666 222384.5498 2261609.548 273878.1946 1078804.551 1220228.456 405954.4379 716789.8369 1003782.462 2394399.386 2001702.561 1064259.38 2344654.222 1846233.443 504447.1807 2046338.981 1447485.251 373519.1406 97322.16625 873095.6155 1182420.004 1009419.477 2652275.467 1514342.383 3814409.635 2111979.128 3164934.16 2394420.476 221906.7109 828143.7518 1605790.763 3956181.492 1310265.826 1341246.763 2439865.178 2714281.705 1875384.498 2538995.929
PS(18:0_20:4) 9.11E+05 469140.8106 864488.7348 233227.4642 612546.3172 2075547.904 1068527.229 600101.1911 681965.9166 814434.0776 983265.5957 1260867.912 279762.282 92971.5644 915975.8957 129076.2478 508911.1837 866606.5162 393791.263 553760.3168 718088.8591 1331468.618 1697671.289 585390.0818 1023574.445 759092.9793 865587.6647 1189294.044 480633.4193 136968.2974 64461.26032 614081.4327 1224880.512 631133.6605 1442899.564 623499.1675 2559046.234 1064724.246 1718818.597 3125668.011 177131.1141 1036550.784 2806551.664 1739233.414 314619.3389 574066.2266 1395875.332 1486422.009 642510.5346 584280.2994
protectin D1 9.97E+04 44380.62516 25124.60486 19183.83035 89242.45986 91706.07353 203890.0051 9813.497244 154868.1685 92356.07792 69325.78299 94850.93135 11073.0322 7852.389351 36945.05701 27085.23815 59890.93867 72455.17976 22102.36694 25532.47942 67716.93922 221228.1477 139325.0367 121703.3866 160354.1835 121670.922 20402.52882 129182.0463 243666.908 21479.62126 7418.221434 30823.03611 73804.06844 38071.44057 157256.4169 34056.58605 119564.7366 95303.62034 136050.8785 88694.32985 12399.01509 13405.01896 104711.7685 39187.47355 39813.11642 43553.88409 56448.96513 98466.92779 70071.24358 184512.758
Pregnenolone sulfate 1.17E+04 4028.127892 57432.12603 32920.04505 117211.472 368413.1933 56897.77888 29121.54011 185188.8611 22763.05868 74715.63985 100324.0098 51614.21007 13373.92563 101218.4417 49459.52904 45173.07294 49210.64298 5090.710824 16505.71077 24521.27004 79101.26177 143608.6002 51593.98227 34099.37912 113623.6376 12522.97973 78590.2133 93366.70761 9439.851074 8707.498501 46745.41816 11750.14174 8723.428548 81831.1764 82300.15261 271343.7915 156474.3546 74225.386 72965.75747 9200.962638 8762.185916 26471.10975 53415.5989 40574.23381 53035.44462 53178.58023 94699.85973 74622.67763 66110.10132
praecanson A 2.48E+05 90128.16379 42282.35243 62431.47977 202107.54 149149.8703 509744.3447 27991.62303 356646.0584 172025.2124 178817.5036 179833.755 36185.90839 6217.205439 98832.9903 80163.23508 137846.1047 193600.326 41375.6868 75174.0165 182197.9491 579990.009 301618.8957 291817.812 486874.0027 351390.123 34768.1768 272924.0177 583718.6829 34033.46452 16331.55317 63052.20862 175871.4529 79159.87519 279265.303 102841.1919 194866.3008 183060.0924 399749.2483 223386.0788 15433.13169 15468.40192 207654.6425 78118.22242 55912.36593 92931.30777 165389.1545 170933.2185 142643.5594 511760.865
plastochromanol 8 2.03E+05 295528.3514 258888.5803 363191.855 197326.7116 816822.0489 647694.2155 61163.57283 707732.9345 1107443.432 359487.5433 591240.9707 250481.0213 31044.44688 193915.7209 48870.35957 250976.7975 362142.1914 38561.55294 180597.6088 201475.8789 1532432.801 671399.7792 237386.0797 802569.7713 232821.168 93117.94935 1315108.966 718053.7909 79894.48165 36386.44117 112041.7181 161145.4061 421541.6974 582840.0559 434353.0898 267362.8852 655197.0561 616631.9316 290459.2394 13212.50392 112768.7014 123835.1597 410277.2822 175861.389 71559.51978 165032.7608 550683.2273 211110.6418 124007.7361
Picrotoxinin 2.45E+08 109839471.6 269240144.4 120082525.3 225806406.1 555168476.6 237647309.6 147189080.2 515891626.4 148119816.2 433555236.9 404893577.5 67039793.38 24160942.1 284614418.6 71025668.36 237027782.9 272077653.8 68854215.57 52951112.9 54932975.11 189040852.9 222873398.3 105771249.5 140099520.7 253920380.2 139575667 209165469.9 306770648.6 70360319.76 16605229.54 185163953.8 167747236.2 257594378 324980787.4 165974756.8 462506573.2 421553155.1 323488087.6 108783601.5 25296736.01 54419291.99 321907996 472024004.4 133648062.4 203909639.7 305855751.2 336558333.8 127431850.2 398786917.2
PI(18:1_20:4) 1.23E+06 826007.0301 1535053.19 831581.0431 1229470.966 1800955.096 2591058.864 798091.0381 2787431.672 991323.8399 1733298.948 2891867.137 694678.516 168146.7927 3216301.277 267209.4658 932981.2408 1773287.067 478868.9404 631297.4539 884066.7082 2925186.283 2591970.633 1048924.712 1592919.792 2406829.669 569529.3718 2027637.029 2133635.411 212578.6608 130857.7909 860823.2145 1262117.656 1093803.487 1848562.423 1489530.86 3763293.913 1989111.353 2859874.118 2961434.279 177972.7532 601197.0779 2388107.117 2683349.088 1218894.904 782824.6027 2455993.601 2300939.249 1339346.898 2489008.872
PI(18:1_18:1) 9.43E+06 5946547.533 11832449.59 6214258.52 6194909.427 11807640.55 15085717.13 5129971.113 16616674.29 11476019.77 9072226.865 25254398.11 6186560.34 1034038.684 21109836.12 1677669.274 11021756.51 11091284.44 3653601.316 4460409.808 7581299.134 23419937.43 12843562.74 5932627.778 13238195.21 16463570.8 3652343.777 15585506.75 10587485.87 2913359.39 917141.4411 5548614.704 7609786.519 8299951.368 19076434.84 14180028.16 19275601.07 13391578.97 15522868.4 16243157.73 1244013.19 4175711.44 10983175.14 22119866.49 10102642.51 7272972.736 17557355.31 15922486.26 11444825.71 14857284.66
PI(18:0_22:6) 2.63E+06 872586.0677 2310258.992 1340720.041 1367881.031 1817362.078 2507918.461 601656.3741 2620529.195 1711820.435 2265423.952 5724340.513 951494.4274 177979.5212 5956846.428 600404.4643 2278046.679 1835344.84 728691.2487 629727.8535 2334260.6 5051526.669 2925573.189 1404206.824 1727307.408 2043540.357 660427.051 2948985.861 3053745.929 480679.2367 171493.7045 904745.8264 2255463.548 1147294.633 3283400.03 1268779.47 3557136.82 2544474.188 2508437.897 3073088.041 263324.8905 854111.1648 2712995.806 5122873.065 2551517.84 792500.1012 3756325.341 3425766.548 1937520.99 3650418.315
PI(18:0_22:4) 6.17E+05 670982.9141 973990.3691 500254.6325 744657.2193 1933309.2 1836422.535 469833.9034 1338976.182 713760.439 887946.7719 2418186.675 277548.54 74478.70104 1114949.176 98731.77094 585450.4272 847008.1596 122136.7433 390694.0797 563045.7512 1781604.024 1902802.198 662317.9029 1135049.628 1440069.862 191307.1794 916471.771 1384474.938 79005.86765 50446.90297 481256.0136 1016269.108 1785358.173 1000966.123 1204565.858 1982853.496 880402.4541 1745571.911 1878875.052 63609.67597 256470.4213 1496021.971 1597043.351 633946.8181 452449.3094 885706.504 1672491.803 538753.4422 1507144.129
PI(18:0_20:4) 3.98E+07 21651744.83 25686269.45 21963878.03 28244136.33 43537253.52 45204167.39 19519055.98 56848108.51 27379780.32 55296520.44 51194397.8 14192583.43 3210046.209 54308277.1 7531946.942 21852617.72 36034196.42 10659469.41 17160824.59 26975567.23 80050474.19 66432776.41 31350865.61 39066246.42 63550958.03 12218537.47 39199621.2 69960628.3 5527576.588 2627157.405 15928160.05 30558786.45 29850641 46069156.3 40109890.64 77173730.56 55679204.12 49915533.3 68305873.98 4557480.321 9691612.432 66226271.57 50238902.42 23038337.35 16599341.86 53027601.28 64346716.49 24532294.08 58564495.02
PI(16:0_22:6) 1.74E+06 839608.7196 2171146.948 947294.5659 1490254.663 2190310.217 3018536.491 978315.098 1596681.631 1140729.139 1801796.179 4284836.791 788955.8886 178208.7388 3983845.887 268156.6637 747236.0098 1360820.749 592981.2384 655401.1031 1284650.2 4064221.559 3270958.273 1159936.73 2149527.1 3025514.044 630266.0944 2330115.441 2488292.33 348380.4671 154461.474 966620.5308 1690740.478 1283555.783 2499875.855 1910199.089 4537404.645 1820220.282 3919207.725 3943939.018 187339.642 734492.4323 2795603.316 4365070.685 1752120.16 1013902.601 3075698.436 2179096.691 1633479.572 3425451.152
PI(16:0_20:4) 2.67E+06 2088248.628 3577598.669 2246724.52 2828566.36 4551868.519 7105645.937 1835795.159 6578624.631 2866278.636 3881204.463 7474761.3 1409619.889 505439.4265 6623521.932 762559.2631 1889070.959 3866166.316 1195156.044 1584558.41 2371025.264 8271141.61 6598954.047 2776802.052 5815661.152 6011201.151 1378281.705 5308654.123 4592127.126 729861.147 278389.6308 2446268.367 3203380.206 2810899.998 5579487.302 4372969.855 10347353.93 5486743.215 9734053.351 9197440.244 544340.7879 1702969.598 6106412.035 7273016.905 2942790.102 2633133.842 6527268.546 7421107.865 3308700.948 7214821.748
PI(16:0_18:2) 1.38E+06 1269448.297 2343559.116 1162484.086 1379590.689 2437664.994 3259735.424 909874.5107 3608427.211 1776558.247 1751228.218 4634904.49 924530.3613 297352.6347 3323129.654 416912.9195 1751785.672 1851743.511 627398.6996 1258579.09 1464658.402 3439233.808 3079176.683 1578731.055 3334619.197 2647314.537 769273.0038 2881869.858 2065975.654 512002.8065 132900.8307 1305858.015 1976475.69 1481647.543 3948570.249 2210393.761 5695056.014 3108457.723 4778419.371 3442650.074 324774.838 1199078.664 2330869.326 5607062.789 1953325.756 1993278.476 3556555.99 4064863.018 2752032.898 3649408.669
PI(16:0_18:1) 2.24E+06 1226731.738 4046523.904 1696497.544 2241684.074 2946039.068 4118813.287 1186533.219 5724661.947 2294049.727 2479944.427 6279254.767 1303794.688 373491.5006 5548335.098 428503.5767 1834536.289 2795641.942 881879.8424 1337464.798 2117310.377 6438942.656 5049933.942 1569826.962 3714413.029 3788534.45 1390561.328 4306488.835 2886097.858 643444.6435 215723.4891 2253597.957 2173013.417 2270132.403 4072432.384 4405941.583 6996253.412 2576215.342 5699518.779 5407320.547 396636.2093 1777589.808 3855586.894 8871309.969 1926352.187 2268950.73 5446221.642 5142927.324 1893916.168 5468681.104
Phosphatidylserine 6.16E+06 3437529.641 5635144.295 2153822.476 5510108.462 6400910.226 6716591.896 3392630.777 7424944.777 3407821.907 6733117.455 7097672.885 1531408.406 1455301.026 6682998.158 976173.0856 2247765.415 4013722.841 2138775.831 2382789.256 5911609.893 6475125.171 12414240.24 3346648.556 6356897.398 5233471.747 3954002.195 5575874.741 7307554.258 1389433.622 404080.0058 4952093.28 7323760.031 4188174.291 11695659.45 5353600.706 19965300.5 6243472.151 11565934.59 17616575.85 1641751.553 4754273.241 13008756.82 15526393.45 2234834.427 6908687.808 5037048.242 11182167.87 4018078.022 10897506.28
PGB2 1.74E+04 296753.5384 305835.6507 43830.77631 76366.77757 99562.03548 443018.7992 74163.84942 410525.2459 6542.106576 10639.39933 315510.5001 8793.246831 90992.011 83482.723 6161.610881 13627.79809 388629.6955 4984.442815 133680.3236 140396.8963 37811.81174 122131.4482 4209.196449 162836.5963 379862.2568 20039.40114 42489.08914 6725.486598 4223.373832 7520.570061 81458.83266 155905.7329 118799.2909 235758.8064 103769.4957 242696.395 4227.289867 550190.4655 191176.4742 11455.69217 4337.568507 14817.08601 111506.0408 7954.458431 147280.768 77081.72375 4250.162046 4359.324389 445311.1983
PE(42:7e) 1.16E+06 365467.7902 1115357.826 646165.4486 668279.0724 1567207.912 728315.6698 326323.0597 1913092.089 988989.2669 1148928.734 1238171.981 467200.7756 936365.106 1384903.359 216760.5859 967783.0588 973104.267 208058.5569 279005.6904 1050167.185 2397881.725 1135168.727 664134.0445 952290.4873 1178105.333 268342.6146 1444814.636 1948606.338 222991.8882 80205.50613 256196.1256 893856.665 273838.7467 1169424.211 1316167.436 1219962.725 1089682.697 610475.7705 676996.4017 84652.29149 200603.32 759360.0563 1063242.188 735271.6984 293543.6713 1716021.835 979682.4054 298214.6058 821499.9539
PE(38:3e) 8.04E+05 1046121.817 1663593.89 633140.3906 735925.432 2022175.768 1173899.719 374296.0514 2229538.527 1166272.59 994095.9525 1601369.195 453706.8521 96952.971 1418879.453 243062.7482 753743.9613 1051695.757 203675.89 1041621.906 876487.8889 2169610.149 1632091.653 681009.5174 1321794.235 1201352.197 392953.2595 1833185.034 1273862.808 199690.8026 106753.0707 568405.6198 533570.6593 939809.3184 2236825.659 1408803.687 1777333.957 1238169.432 1878527.037 749651.793 153219.0025 263509.8546 853024.444 1588086.801 552340.5336 693605.3633 2295784.565 1609582.377 490907.9778 1027905.771
PE(18:3e_22:6) 4.36E+05 77606.19243 361111.9988 125458.5807 180512.3678 610768.9464 407369.3188 108706.1274 497918.4991 445079.1526 531698.733 573166.0295 49351.04832 6355.537307 1134583.598 20621.29732 543166.2772 331395.2783 34113.78789 31307.4064 179898.1145 659796.7574 246760.2349 154740.5901 227046.5493 759614.3636 28188.15883 1229307.062 990499.4245 32597.49859 10237.50352 17100.14144 170541.1166 134371.8768 484405.8139 435967.0538 250738.9454 296537.1965 386665.8884 595181.4056 7971.221351 52723.6909 224457.3018 631741.5556 498772.9094 23751.08903 780716.5625 415068.9693 146758.7877 318483.5828
PE(18:1e_22:6) 1.76E+07 7261306.037 12720271.79 10019791.51 10053762.39 15292515.47 14155507.37 7700079.681 27059618.83 13717481.31 20177886.43 26162753.74 7261547.187 1058020.384 14816556.35 4596657.512 11785302.18 11743647.12 4853103.016 6361008.47 11619479.4 26498197.4 19517312.96 8260961.093 14495539.1 18665482.28 5129927.549 35488456.47 35986405.66 3608914.003 1620789.746 4750739.864 10512525.45 8342424.185 8603321.609 19225383.2 3722046.621 12632737.69 9205647.332 13383855.66 1524649.907 5266591.028 11722765.55 21553145.66 11047263.74 3851832.618 10581767.31 14190177.64 4180963.958 13630739.91
PE(18:1e_22:4) 3.34E+06 2420619.287 3239945.485 1932785.338 2266031.165 5642258.425 3462699.515 1511165.743 5323388.647 2539517.944 5372897.36 3721981.512 1080167.745 217911.8698 2929777.452 665566.8237 2008793.955 2427933.719 698152.6753 1400981.738 2573438.611 503442.3397 6687160.572 385983.8212 4073254.029 5225133.233 1194029.534 3876948.078 7513079.728 609668.565 264329.3694 1571779.766 1895786.386 2841005.445 3765731.838 4080596.266 3865463.857 4373189.775 3934943.971 4304044.419 419622.4355 804991.4814 3095450.774 1406074.469 1170487.332 1589716.96 3207745.233 2301803.113 1701972.595 2771775.623
PE(18:1e_20:4) 3.99E+07 25967807.01 27358089.26 25509513.73 4795709.995 52969780.63 5227799.596 26871517.81 74126158.91 39903818.05 78123898.49 71898838.67 23424492.16 3495528.39 26004564.66 1083698.881 22685700.46 33448972.05 12127731.27 2935611.022 25569596.38 62372280.41 60125942.52 30398017.09 43353608.82 7343941.151 16269360.71 65218688.17 105038577.2 10885184.95 3931507.076 1813941.229 19157581.73 35592489.16 34749618.86 8087667.243 42670960.4 4590898.95 52302490.9 57515931.93 3394559.143 15522817.31 4308044.903 46521434.12 19172963.91 4377677.761 29207254.95 2867734.125 8363769.735 28538060.3
PE(18:1e_18:2) 9.23E+06 5280467.63 14667559.92 6945771.567 8496943.845 16055035.07 8752498.93 4344544.057 17458014.82 7289619.521 10860954.64 20458661.37 7037355.958 929999.842 8325590.568 2328612.264 4292394.704 8055999.025 2594913.148 5438175.331 7992122.957 19193173.42 18322560.43 4703662.903 10028018.15 14412954.87 3445767.902 21113852.27 16333791.4 2560621.184 1428477.962 4473126.868 4641218.494 7703414.38 17570627.5 15594871.95 12474602.24 8458715.147 14830601.37 7866999.001 967461.3209 3992196.511 9481650.384 15562284.98 6836872.695 4192115.021 11001275.08 13184578.46 2703861.984 7435616.496
PE(18:1e_18:1) 2.75E+06 1624979.827 2832724.16 1750920.713 1660092.485 3825364.918 2322351.342 1316555.22 5411428.995 2809402.306 3902999.17 4386246.209 1688235.263 296184.2498 2491183.647 736837.0007 1120809.523 2515571.03 767661.2468 1252448.141 1618811.975 5185264.648 5490008.761 1424099.343 2480722.978 4223213.6 1159274.896 5123304.875 3195026.06 614005.9596 336375.8269 1460180.034 1243790.189 1894521.773 3162764.818 5159904.64 3048494.214 2070975.691 3352701.385 2995159.493 321598.9693 959097.7054 2552972.016 3973551.574 1518160.906 1196893.77 3031151.05 3454834.876 791495.0179 2253146.449
PE(18:0_22:5) 1.80E+07 7642301.776 13203771.19 10080099.62 10240980.15 15626969.4 14411350.01 7755360.492 28795819.63 14054303.3 22499675.23 27530131.36 7315338.494 1103415.84 15899747.91 4648006.915 12041486.03 12538798.94 4881259.867 6405948.649 11928838.06 26870995.49 20598739.35 8353166.963 14762281.94 19577696.64 5251516.609 35992453.18 34859611.34 3629280.445 1631035.709 4863308.57 10722390.76 8736992.517 9326164.7 19469064.81 12331061.06 13553313.18 9391890.922 15006669.99 1553562.353 5351491.099 14425509.27 22777549.01 11084295.97 4083300.067 11623129.93 15207453.71 4554381.401 14581713.24
PE(16:1e_20:4) 2.35E+07 13670670.66 12905860.12 12685299.44 18605325.42 34457917.48 26309573.69 11823289.81 32964698.6 20166349.73 36378470.22 35569879.22 7070294.943 1111635.271 21110604.14 4104523.089 13035765.35 18129667.84 4911279.872 8488120.082 11789470.03 34790738.49 43871133.02 14026211.51 18923255 34910272.69 6408092.709 43761912.35 48097370.02 5087621.944 2917171.105 6576482.161 10366422.49 16421177.14 22787852.84 13913880.27 23340262.89 23663696.72 26006375.62 37260314.2 1623231.031 7504668.776 21826473.82 19182886.21 12223551.69 6559339.737 30065716.71 13196821.76 4664014.03 15712911.43
PE(16:1e_18:2) 3.11E+06 2668396.25 3715451.442 2146308.266 3450963.572 5102852.478 3446981.584 1571764.104 6197388.345 4591516.694 3589429.295 8221025.285 2416244.226 275893.695 3734238.655 585392.2926 1713424.04 4115098.537 815852.9377 1903640.75 2308957.241 6717984.146 8301374.723 1793111.192 4461983.56 5888322.937 1014100.389 7480232.901 5254432.759 944956.6398 591511.9044 1291715.972 1684005.774 2995197.999 6115790.69 5133962.272 5004665.825 2777810.157 7690916.419 3952037.241 298265.8107 1618517.312 2980573.492 6270292.287 2772828.522 1708330.294 5811701.788 4125116.555 771389.3024 3026812.013
PE(16:0_22:6) 1.89E+07 5524851.79 13688020.75 5724684.861 6306413.765 11310891.73 9196110.779 3757965.504 34892934.62 9782383.36 27888414.8 37021492.22 2095977.743 834101.0729 37828844.76 2852632.857 13077883.01 21011342.43 2271838.573 2595538.375 11146745.38 23974134 17239025.02 4048160.978 6190054.16 21592289.15 4152318.038 16590214.58 28531760.77 1960012.359 513423.6197 4698396.749 11042648.51 3712272.347 26621805.81 12176167 17848179.42 8666383.045 10023205.37 29843573.78 1229025.64 2537086.467 23450166.18 37528035.61 4584413.74 4790760.925 24199692.25 25012801.79 13109937.05 32855724.89
PE(16:0_20:4) 7.71E+06 4304592.977 12835586.93 2436046.594 4291470.726 10157221.6 7312689.782 2362340.965 15038686.95 5401697.716 12407839.83 14259158.18 1908874.685 969014.9469 15916265.53 1576435.34 4976189.042 11865797.22 1360126.149 2192507.832 5401591.276 12511307.85 11817348.71 3402780.732 5742969.416 12940148.41 2765130.265 13873874.9 14380695.46 1439342.539 520670.1185 4907045.014 4367752.587 3825218.445 13755220.64 5814150.436 15855506.67 7909080.441 9607824.158 17370546.08 916376.9247 1899725.041 13273991.19 14835688.82 4794935.571 4030738.984 12363368.67 14265605.84 5218056.084 16699037.92
PE(16:0_18:2) 2.71E+06 1795662.334 5031146.571 1552688.111 1706155.335 4375327.003 3846650.979 1072665.774 4139565.187 3203224.403 4302591.581 5542024.539 741355.6815 575363.6469 5478135.259 710719.3518 1945419.264 5088433.551 521735.2494 1075529.733 2009128.23 3119128.666 6124899.454 1392778.84 1948846.502 3164581.182 1060620.182 2796963.261 3649146.295 495580.1837 278971.1777 1778922.439 2095906.707 1882899.399 7335670.682 2871078.031 7374143.51 2556220.44 3624862.752 6798376.267 366487.771 1617039.129 4287433.562 6925392.61 2704996.756 2322360.794 5147343.62 6966517.084 2525561.013 4764527.631
PE(16:0_18:1) 1.37E+07 9908174.385 10889398.85 8107190.936 21879477.45 30904053.74 15948300.85 8144425.717 34037308.33 20619805.35 34096132.3 36537154.72 9183375.438 1358733.294 18349025.99 3732005.186 11525839.65 14605801.71 4344431.569 4347236.386 10005970.92 31093890.04 32635348.69 8868169.471 18976538.5 34830923.73 4417401.904 36037205.26 42580468.02 4743853.987 2591605.658 5915204.356 9313200.858 14818976.49 16651456.52 21579227.58 21491531.55 20313807.3 25956245.11 30652905.01 1773957.229 6743987.276 18542766.37 21750588.78 10697320.33 6580255.884 28982894.56 15062142.36 4446097.734 15655292.21
pC-HSL 8.95E+05 321493.3269 1129357.93 420159.452 925199.1221 1516326.79 807404.6808 557280.6445 1141696.334 524021.2413 1006616.628 986856.6787 309818.9585 152771.9942 874437.5429 261250.4869 890054.0666 838661.4634 558666.1841 351727.4796 852632.7276 547961.735 946857.7822 509183.0613 824810.3247 612496.6121 318129.5483 1048423.153 967928.6787 185537.8339 189504.7884 753258.2205 742080.3059 531791.6019 811774.2293 733979.7198 1337382.19 978333.7946 828103.7784 1004174.915 259623.3303 376897.8349 993248.2146 832192.7664 453633.9694 472042.3367 915429.0872 1063408.793 522306.5244 1409556.441
PC(o-22:2(13Z,16Z)/22:3(10Z,13Z,16Z)) 1.45E+07 8713513.916 13955362.33 7531508.814 11192429.74 21888749.19 8308149.634 6859999.414 17411885.71 11969036.57 14121412.19 15875470.52 5892358.352 1595261.879 17034183.43 5045715.337 10377187.32 13397336.33 4749272.506 8827315.903 12202110.04 14209797.84 20877568.64 12446927.63 10205623.42 16362954.92 5143139.923 12179200.84 17699001.45 4329481.559 1514347.412 7335074.016 10184004.41 9228542.648 16179129.79 14232382.85 19631194.85 18447315.71 11687232.85 12539394.91 2495379.15 4183758.494 10029442.05 18830703.27 6752560.727 5595660.857 17789522.92 15511190.13 8082809.624 16152242.05
PC(20:1e_20:4) 1.24E+07 5694315.034 9074034.708 6979161.379 8538271.523 9929434.351 10382370.2 6998325.204 12033475.09 10173932.32 9442196.917 5504708.668 5546102.125 829199.9151 12260034.73 2948669.305 9529058.558 11904597.29 4730784.37 10449900.86 9964718.461 13711423.42 10067154.13 4748610.451 9276763.324 10927923.29 4423861.195 11423916.62 13452010.95 1878513.553 1536505.578 2394047.136 8576177.776 7862951.75 11890528.63 11295374.55 12795370.77 9643689.3 10007235.71 10717635.07 2447905.423 4460559.703 9533017.753 11495130.41 6156483.601 6909108.891 5773921.236 11869282.83 7412573.038 4518441.715
PC(20:0e_20:4) 7.74E+06 4421778.819 4705661.52 3464767.202 4963396.779 8745847.246 5458421.08 3402994.628 8212718.882 4764527.817 6301988.696 6834837.434 2537152.212 805855.2208 6374325.536 2495965.114 4684847.691 7359648.35 2266572.691 3270008.485 5373018.61 7525891.101 7321881.776 6533056.172 5032338.65 7967459.178 2124615.399 5451916.355 8384917.758 2097797.027 765137.5389 3535846.188 5691240.99 4071838.741 7009442.236 5842050.698 6983544.305 8061836.909 5436285.328 4678816.851 1336042.555 2228896.78 5161841.102 6513659.831 2751559.148 2921761.702 6044573.569 6536987.4 3550668.446 6617030.77
PC(18:0e_20:4) 1.48E+07 12005611.22 6449129.296 5822895.909 11872889.36 17561834.58 12211710.73 6856390.246 18879633.07 9778868.628 19100788.19 16488123.6 4786598.462 1428717.618 10153506.37 3325696.41 8081916.703 15120532.08 4609949.459 8177293.456 10053321.86 15904576.87 22460320.1 7087930.517 11338437.9 17720994.36 5089358.653 13965635.93 19797594.54 3074490.926 1146394.865 7502141.728 5450355.028 10329907.31 15871075.73 12670187.79 17373122.27 17095644.85 12150689.55 12198439.55 2242701.227 3940971.45 7228004.857 14963824.11 6341066.163 7367143.667 12020564.4 14774303.27 5796823.871 14876743.09
PC(18:0_16:0) 4.37E+07 24440547.69 31110863.08 17658400.94 22982440.43 44207649.98 34586026.44 17840123.43 49887726.53 28578417.97 37185457 44558479.73 12259253.65 2742760.933 36788726.67 9037170.67 28103761.47 32491982.36 11666548.34 18339844.14 32139680.42 50208000.71 45622716.35 25708947.38 34141438.78 49858501.47 12241207.36 40786966.49 47666608.11 8090349.336 2905242.469 16575474.98 26874302.63 26635284.14 43378010.08 34871310.21 40666199.04 38577970.33 44224700.93 34153787.67 5926194.099 9662823.026 27855895.58 46376236.15 18970102.94 16066359.67 36439770.91 41073131.76 26114512.36 33019630.7
PC(17:0_20:4) 1.85E+06 192169.0365 74162.80385 565756.6359 126510.4494 1937960.702 131151.1795 88220.18127 649385.9703 176562.3325 663954.1848 288505.051 56266.28403 14646.62961 1164639.785 34980.88544 1200671.039 886603.9782 515119.7167 3475331.802 111279.5757 244778.6936 428793.8903 1088791.951 1280152.836 294979.9138 58521.0874 1473544.562 740524.6625 20017.63664 10460.05363 78148.52893 713996.86 130689.9164 265571.8393 1337247.399 608414.878 247249.3334 1073993.114 645866.3338 20248.83329 505237.3949 798052.3327 175106.9392 736802.098 65559.92539 343543.5656 219373.6503 1229691.845 1801416.203
PC(16:1e_20:4) 3.81E+06 3236935.75 3733172.988 1959338.828 3401164.348 3608012.317 4945204.161 3155835.7 4193552.069 2955914.299 5020197.774 3286637.104 2217639.977 896810.3424 3430514.855 1752986.379 3342756.561 3194552.831 2164891.533 3163513.101 3854161.053 3256758.572 4278983.661 4029207.987 4231751.792 4017237.34 2269708.49 3373824.433 3676351.555 1855785.797 834064.9531 2693541.828 4002594.897 2718686.931 4438502.026 3602260.038 7139032.421 3890092.968 4420259.52 4654249.006 1649304.306 3950047.991 3345386.819 5888932.372 2366825.596 1755415.333 3846298.551 4186573.905 3519794.411 4206263.874
PC(16:1e_18:2) 8.54E+05 1199707.045 3584767.912 594656.8357 997830.429 2036711.035 1764559.409 648079.5725 2583407.18 1755339.43 2801415.848 2797908.982 828218.8718 296875.7769 3164174.692 370882.8903 1138152.412 2424503.004 487866.9311 1252662.033 819806.8478 2867739.144 2126664.25 1104931.984 1016640.712 1797752.354 999479.5953 2489363.254 2112971.22 372810.8874 142940.1315 1528693.269 473195.135 984593.6251 2334771.653 2743815.334 3033448.387 1753393.367 1875607.584 2460242.054 216962.0321 852377.0133 3264261.213 2584973.571 759551.3589 1571897.608 2328192.549 3522259.786 725934.2364 2952364.29
PC(16:0e_20:4) 1.13E+06 1073800.895 1579305.393 652466.184 952850.6542 1361562.257 1697250.904 654972.3182 1965525.603 1092984.167 1294299.883 1481654.092 1146615.413 242428.2159 1285870.727 372377.7847 1297756.733 1748547.104 684143.9353 933498.238 1084923.89 2192558.876 1534922.088 917438.502 1661354.99 1627178.209 843539.6429 1479735.048 1460088.599 350385.5181 149690.7821 948767.6589 875748.1714 1047948.196 2027013.938 1493261.95 2333206.212 1518694.226 1540346.826 1283544.255 250024.3338 777423.8496 1093768.725 1847716.414 892668.8981 1233161.513 1520807.661 2138429.131 930028.5172 1247720.9
PC(16:0_18:2) 3.66E+08 283051031.7 406239791.3 205924686.5 261825248.7 437670669.9 439429222.4 197957429.5 411072083.3 357931381.8 320021263.5 461475380.7 195014102.6 54971466.07 356968410 108036763.1 273732937.3 362228624.2 135370140.8 194287445.7 286140129.3 428916907.1 437373122.7 286470321.7 395544248.2 381854640.2 162462379.7 395065620.1 375415663.3 106741618.6 45173634 205330232.4 288537017.7 264376989.2 495206602.3 354741463.2 474838735.4 362557870.6 454850842.8 365245762.4 73088327.12 160819544.4 332041077 450702373.1 213449007 242096508 351161506.1 456166794.2 262104090.3 430892369.8
PC(16:0_18:1) 4.01E+06 4981896.105 528335.0705 3467367.712 688627.3273 2030437.723 1303099.934 581406.8995 5516789.462 847754.2331 1996238.391 2075793.744 5135984.298 4177606.839 1312624.405 5070833.051 3112926.534 3942900.02 4165687.321 7167651.927 3282437.146 4817158.513 3309322.506 3458890.162 5341128.713 3557718.973 3335162.217 1167374.485 3747284.813 4072076.467 2823981.725 7266766.778 3654565.051 5610432.426 1210515.114 4205779.71 1869924.455 1554755.226 1467886.573 773816.2559 4965001.283 6379829.51 1253793.738 5052790.472 2734761.948 7711718.356 3882818.258 3136765.548 3822459.968 1657308.825
PC(16:0_17:0) 6.25E+06 3769329.835 6466351.295 5317511.641 6192568.094 7956727.752 6443816.078 4036852.112 11932707.63 5528686.638 15799351.3 14019167.11 4082686.565 736714.7828 3428659.461 1423948.886 4272832.572 5607321.673 1851337.416 3766818.098 5857738.69 10651531.29 13060036.18 4346508.414 7083240.685 10106813.27 2573086.958 10695750.7 17479608.3 2008253.502 760264.7747 2939264.341 4233651.672 5896799.86 7081194.329 10503050.23 8932745.938 7029068.166 9544426.198 6884196.854 923750.2235 2454652.339 6185505.116 8425600.904 2595796.995 2490197.867 5811641.097 5218600.12 1167734.78 4714976.947
PC(15:0_22:6) 7.30E+06 5204121.367 6836037.969 1673749.354 3484109.051 4010176.732 1622076.17 958519.9815 7041473.421 4529391.909 8668141.746 10057723.41 895826.7189 324050.0237 11069851.73 1135265.645 5805674.383 7199074.028 1086938.826 5697011.536 3925890.165 6393011.16 4690087.328 5003548.711 1214329.765 5688739.075 4403018.598 5400627.512 8212288.115 1863205.025 2561506.936 941346.8397 5139552.931 977307.2344 8036642.897 2884175.283 5963230.84 7174244.179 3535543.114 10034271.01 647361.9722 1175381.844 9539962.036 11797940.24 4525600.845 1025614.12 7923527.1 7994568.179 6960475.46 8381630.95
PC(15:0_20:4) 1.88E+07 9906153.272 10905193.62 9153828.725 14184612.46 39001667.2 14192664.91 8951272.643 30825779.53 17596610.18 27672264.9 31073046.31 8752319.765 1408370.688 27925516.65 3413250.568 13168034.99 13134826.21 4635550.559 6666182.331 9106416.745 47199109.24 40132286.64 10567742.69 14541273.25 30318675.34 3939858.697 48115407.6 38200991.94 3805884.009 2063057.663 5114209.346 8250791.817 11005697.35 14599639.56 17671179.5 16262836.86 19289234.33 18667502.94 26155280.51 1526951.697 6114372.256 17607613.94 30739240.02 18384887.78 4934561.624 21825926.2 15628095.42 5035340.435 14713925.78
PC(15:0_18:2) 2.39E+07 16064993.5 3049961.985 14539907.85 21451595.79 33017991.59 22613939.35 16134604.89 40141453.73 24467810.63 37764466.16 41216003.35 11199196.22 1611414.146 3730512.657 5661384.058 12166472.7 37545324.22 6030227.622 12551221.11 14392912.93 33828499.62 36575482.92 16990992.64 25037922.46 39307841.82 9033385.664 40993604.15 48640041.33 6445845.121 2338544.743 9833027.109 11085622.01 18633772.99 33831733.57 29489074.81 38435601.24 25139594.06 26964700.37 31447651.69 2118332.711 8724048.999 24017568.02 44421294.52 9693296.778 1265499.098 22761611.77 3640207.157 1162766.523 30366906.42
PC(15:0_18:1) 1.02E+07 19406207.47 29883565.38 22300018.23 27927837.23 44242804.41 28345240.92 19855645.83 56590180.02 26611356.49 49361697.98 90832361.18 18588051.9 3499559.387 22456777.18 7802602.448 24132156.91 20273291.19 9791338.1 17682422.35 19529780.96 48825052.78 54620223.34 20727633.29 32362134.66 54831094.85 12669428.28 23312459.99 66605592.57 9194007.195 4915879.36 13284506.25 20258291.26 26273615.63 35669148.08 42873112.67 35006930.34 29128497.79 42094174.42 38542379.42 3989646.537 13060954.7 31385581.93 18260073.24 7527494.616 10774266.73 37324667.89 38709252.41 7700821.258 27871303.97
PC(14:0_20:4) 1.77E+06 736175.5606 1437761.627 479424.2924 725490.926 2015969.765 1274434.519 444459.3377 3428918.804 704752.4864 2755364.48 2458099.029 289405.9864 157004.7017 2312625.926 290363.6427 820314.6613 1971975.106 268236.5678 387229.9632 949411.27 1798637.7 1849327.409 600226.3938 989137.2382 2604657.033 534246.5503 1982867.259 3137606.093 226942.1656 62419.84699 653902.9579 744403.3838 676219.7381 2457695.895 1092348.085 2577102.365 1582122.834 1663296.322 3607503.855 178868.7563 368350.6999 2854261.576 2707371.531 506896.549 688649.8896 2394622.368 2723678.686 1144875.357 3393838.874
Palmitelaidic acid 3.30E+07 12676687.86 3705931.577 4822259.232 30849498.56 9798825.99 39792725.98 6361438.859 36131450.93 11224298.31 16153338.81 19706741.6 4152338.278 2478316.112 10872389.06 12222533.22 6424790.378 18867008.4 6902157.377 15023023.14 21600953.01 29540651.48 6721300.984 25343983.33 34104460.96 39760921.1 6539673.716 10960759.79 37773991.03 8351037.41 3079286.06 11368184.2 22223573.17 10443073.2 23589139.45 7414673.684 22752816.06 14127654.67 34978647.19 24071263.93 4341330.293 2861903.97 21902973.64 9643769.172 5454843.807 13100036.51 22048380.79 19620585.78 7683050.511 56202639.58
PA(16:0_18:2) 6.38E+05 556862.7336 620672.1364 456749.7061 533274.9166 725636.7016 791659.4763 318504.0722 709207.3753 688865.9255 558721.6749 697112.2605 374992.9768 159222.995 587540.8055 321832.8443 490318.5221 697951.7274 286652.9753 472901.7781 698444.2075 790896.1578 711065.9448 499631.0688 668161.2973 770887.7432 351864.0897 815184.1873 517394.1029 260814.9377 146239.7775 464259.0422 604049.9077 520981.521 797988.0241 664304.5963 787005.8389 726418.1907 922047.7208 556132.6565 183344.7638 365353.5859 479963.9306 961619.926 439467.9011 513026.081 579381.4471 779303.8144 502117.7425 604396.336
Oxocamphor 1.21E+05 127781.605 197581.1923 85383.65484 306722.9099 833822.1237 380607.215 95513.00285 398404.7891 273824.8339 304426.645 398873.2332 160739.4338 30050.9487 145140.2375 130734.3619 319319.6489 209698.1143 46160.98995 116064.1945 202885.9435 209038.9428 276531.0545 357870.2097 276565.3402 186224.5869 61656.0565 512157.2111 466502.9385 171612.7362 67824.10938 74223.48339 154115.6922 99846.79019 692357.7615 177194.4839 347308.3283 473887.4408 315222.7538 115450.9866 106099.1315 83852.9435 197359.9619 156779.2828 270987.8085 128992.1909 105160.4773 288497.1091 538598.1413 211812.3683
Oleic acid 3.70E+08 174132130.4 89987804.52 91321858.9 260457024.2 174715440.7 367264968.6 68001158.37 502766449.3 264944824.3 236351232.6 237574848.2 70199703.94 16665620.15 176095827.5 104865929 140080050.1 293971556 56595595.28 144819184.7 292577762 909346378.8 525994990.6 426811679.9 564654978.2 584990910.8 68775383 288391996.3 815253784.8 62534616.43 27753767.48 129141612.5 207503518.6 133156420.6 288649214 147219886.4 271245754.7 225857340.3 428139153.4 288430949.5 34591182.85 28877547.22 311178779.3 175578251.5 71981643.34 129101114.5 362220568.7 264718983.7 151673817 600955277.5
Octadecanedioic acid 4.87E+04 16651.21141 49718.33896 29573.17819 53719.14418 110353.787 41910.51059 34143.11465 109702.8602 22001.34431 40124.4196 46237.04337 8655.67394 14597.525 42132.66079 42356.10288 45300.22025 62833.28558 14677.4425 44397.30517 42110.68718 33982.90154 65514.79088 80905.93403 30948.23021 98593.02083 22068.53137 85853.53416 62139.47659 12933.38596 4250.20686 19062.24943 43256.4897 23888.53834 107593.1132 66019.86903 63898.95327 76279.52891 54055.67057 27523.08981 12982.93247 9097.686007 36633.71212 20476.72671 19670.26436 43749.28223 33602.44871 70620.99767 57992.6421 194397.9154
oceanalin A 1.51E+06 854064.9793 1133716.589 644571.1453 976329.9811 1443775.472 1555514.741 656069.7431 1715527.717 1098023.156 1604881.582 1365205.539 523537.9368 89598.70982 1309690.455 352280.1237 981941.9291 1174385.387 427186.9412 548086.0147 1071830.072 1472476.932 1544948.073 999509.2105 1373642.02 1639237.527 533962.569 1500976.653 1749980.368 275692.2096 105035.851 542903.5821 1074954.352 845294.9717 1546900.612 1098842.225 1802496.972 1470815.318 1587608.564 1312680.562 245049.8893 1526852.861 1271095.25 1587530.243 727109.5007 615284.0685 1588193.914 1454437.185 988086.7234 1612134.901
OAHFA(38:6) 1.70E+05 35659.57475 7472.177313 15144.42422 117354.5202 79968.27044 599988.3364 2572.436024 362858.1419 128295.3257 94876.24058 104423.5127 4525.62095 2463.320835 33775.6844 17767.53156 54544.67601 137176.2051 13755.82389 15850.64265 97370.87762 772595.6619 288984.8008 225217.6538 636821.4606 345058.8498 5486.355452 177561.1487 992400.5288 3369.178225 2431.799007 21048.04293 74571.32388 22394.8425 249190.258 26467.19635 143425.0942 110632.6183 360387.3033 130224.7202 2387.896974 2434.513353 148398.1809 23811.82371 10940.02874 22854.07263 118431.4177 100626.6392 63766.0091 568549.4574
OAHFA(38:4) 1.76E+06 400859.5436 98216.98337 113363.7312 790689.0607 441213.8083 1735081.737 59220.17519 3058032.098 970987.8242 828801.2995 826949.2005 59807.84983 3655.549571 428566.3832 143971.5319 287510.0431 1191272.437 44591.20355 248320.9329 1139393.239 6347733.463 3157195.675 2236710.401 3057314.694 3471100.782 69485.10537 1199504.332 5446905.042 52126.74011 6127.163446 272315.3854 698376.2854 241055.5567 1149410.73 286542.9178 1052966.49 652214.0599 1748585.19 1083112.213 10420.72638 9551.704943 1259335.389 366672.8415 53676.26277 236022.9365 1676750.35 960601.1139 353148.7538 3005212.29
OAHFA(36:3) 6.31E+05 566323.1486 1465083.969 551222.6198 926204.1269 2323452.249 1806106.319 521155.2641 1519737.922 1419212.006 2671721.072 1479418.075 622525.6289 119128.0868 505468.5545 364574.374 1701111.045 1176456.263 147421.8824 416613.8303 985165.7937 1484178.351 1521347.654 1596209.001 1268726.59 1725064.297 308893.7741 1619804.438 2089766.436 238519.3462 92174.39997 601501.4807 639740.6533 930180.2558 2672232.631 1821372.609 2282704.977 3526805.257 1734274.693 1273285.954 132682.9268 482873.4725 1660473.036 1410504.684 1163432.043 737174.4836 557132.9278 2318083.743 1681426.204 1815834.199
O-{Hydroxy[2-(nonadecanoyloxy)-3-(stearoyloxy)propoxy]phosphoryl}-L-serine 7.31E+06 4342298.35 7709454.895 4971978.118 6329282.568 3407253.965 3933825.322 4680898.048 7756724.87 2292756.896 7294940.302 6361762.351 3304519.014 2579336.483 6291255.281 2609589.043 1562889.588 6733411.408 1900578.434 3401721.4 5833482.989 6473561.047 8726423.528 2350550.58 6574822.983 2527942.205 4732258.597 5979832.634 4988468.962 3223917.581 979349.8631 5021818.402 5016032.256 5066072.158 7826485.071 5989251.515 11134611.34 6486446.017 10123884.83 7919854.416 2339741.732 2395231.972 9276339.208 11164025.6 3873980.544 4960668.674 6266205.105 8873865.361 3143552.351 9598244.429
O-{Hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine 2.21E+07 12995734.7 11524006.42 11945587.76 18350758.29 27404287.69 18176702.58 13014638.29 36655870.73 17721113.61 36737603.06 38086569.11 10925501.95 84213.53825 305332.5008 5100693.779 10780337.45 16034489.78 5558759.098 215874.339 10648223.4 27263143.87 34405382.09 16323432.21 21428890.71 38643440.25 8271231.177 37830079.96 49429060.38 5489854.811 278308.1183 7286415.044 10526482.54 389385.4271 15861918.27 24468873.48 19572169.08 18924498.03 25741117.38 28137153.3 138189.2346 7714127.957 18752736.93 19645856.88 209504.1903 5078194.293 16212393.27 15122536.98 4332128.987 14237797.99
O-{Hydroxy[(2R)-3-(icosyloxy)-2-(stearoyloxy)propoxy]phosphoryl}-L-serine 4.05E+04 19696.23523 12128.76832 7586.787048 21202.67572 46922.07634 30754.65837 18679.06364 62941.5745 21081.3783 80341.86275 64113.94285 7006.806601 4141.536287 63624.43985 8920.606493 25465.35774 65113.8268 6200.019945 25277.1286 62999.81029 410354.2266 231546.133 95956.11469 97153.73283 186219.4981 6746.799575 73215.15255 368219.7802 5847.455134 4300.315317 11558.39992 16575.70751 36083.08123 74531.2849 45847.00642 88479.3246 84329.72914 158611.8971 83574.90552 4281.745128 4330.313664 100662.4079 57304.47527 10677.68407 16359.24062 83056.30266 107608.9729 20565.4916 213312.0804
O-{Hydroxy[(2R)-2-hydroxy-3-{[(16Z)-2-methoxy-16-tricosen-1-yl]oxy}propoxy]phosphoryl}-L-serine 2.00E+05 164887.7909 176074.2318 98523.7063 110892.6698 240180.573 203251.4898 103080.3213 226234.4839 166288.93 293448.129 331728.8758 135645.4039 15410.31718 455006.1833 60196.0031 144197.4221 394377.786 80467.75921 160049.047 207508.6986 784370.8491 400229.8808 263025.1452 311059.2686 342342.3593 68705.93773 386896.1141 415714.2292 31281.20792 12722.62329 167836.1964 119109.0139 275104.1988 397662.2265 440666.0592 422718.9588 402335.164 444207.0717 383723.9191 27221.16812 58609.73825 321768.3504 412140.208 223310.1061 137871.5624 496430.2002 442602.9026 188931.7147 378153.9956
O-{Hydroxy[(2R)-2-hydroxy-3-(icosyloxy)propoxy]phosphoryl}-L-serine 4.41E+05 336058.6336 234605.813 192162.6199 303119.829 624361.4648 474767.9061 228996.5698 740283.6545 238903.2644 761459.3846 815462.7605 189669.5907 22456.23544 469472.5501 149257.2656 299875.8306 710348.4375 189489.6338 274976.8612 344395.396 1102687.312 1174797.457 721334.0883 751984.2546 1027779.32 114948.2084 780298.2881 1199793.042 79732.17367 30086.20421 215551.9969 262934.9241 373751.5765 722471.3766 613576.05 882205.1724 818651.5852 1219224.967 818379.7607 67934.26211 124119.5828 687936.8558 944992.3215 246053.0062 178758.2806 481135.9925 1187061.374 509111.5155 850595.0175
O-{Hydroxy[(2R)-2-hydroxy-3-(icosanoyloxy)propoxy]phosphoryl}-L-serine 4.79E+05 299913.2561 388161.5879 196323.3442 539894.3242 1484568.465 1152396.232 223914.1043 1071255.151 165180.2763 684169.9335 1320213.355 119337.6681 41086.88583 1055537.966 224781.0514 156915.3396 976619.6921 283790.5855 238067.6116 280098.7633 815531.3699 1398186.863 503327.507 956646.257 1161337.679 98701.38517 1404537.111 1493207.151 64731.24356 26998.55825 377067.5881 411021.204 354701.7112 1709550.751 382842.843 3362216.943 862498.5742 1987901.213 1520561.097 65647.34669 119643.1648 1548687.905 1062580.987 182129.9848 317606.2066 1040422.82 1259981.154 235455.6881 2441146.207
O-{Hydroxy[(2R)-2-[(9Z)-9-octadecenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-threonine 2.59E+05 1475737.389 204480.7158 1692054.568 1690487.749 291614.5182 541551.6005 101379.4391 458427.2747 354667.8097 394090.8399 387967.7951 1858983.52 1387249.802 797669.1727 1467323.485 1396829.024 420638.5175 63911.93836 157429.3141 217870.1189 821296.6354 1135168.727 215792.3061 366497.382 607167.6001 1827860.383 369816.4069 312535.0345 1292649.138 17659.03887 2142744.739 304918.1377 1701625.776 457647.5821 283657.9 245185.3839 998255.9873 863530.9468 5178907.06 22213.65407 1455501.076 177124.8981 363075.0165 1619579.39 1871428.71 557306.6267 226832.119 176564.2869 308267.5239
O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-(octadecyloxy)propoxy]phosphoryl}-L-serine 9.19E+06 7081349.884 9793590.538 6031970.006 7859984.637 9761816.427 11956318.07 6396664.208 11306859.47 8561515.112 8593984.447 9483331.925 6726160.584 2785729.757 7926971.769 4302756.339 7510220.516 8808043.921 4390311.504 441045.936 8779493.186 10389611.92 11890372.79 7285675.71 10578530.69 9727703.654 5510028.593 9413547.634 10057189.34 4334384.988 2327384.904 6344483.341 7684531.703 6981373.237 11271724.04 10168387.89 13720786.38 8867713.294 14208025.34 8165316.527 2764380.976 5149049.934 7922979.617 11133980.76 6592760.899 7027612.158 8616210.048 11724920.1 6378937.798 12076468.65
O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(stearoyloxy)propoxy]phosphoryl}-L-serine 1.90E+08 110134191.4 172917105.7 108427586.6 154044295.7 184284518.8 189926751.2 88673460.76 230130258.6 158431677.3 194687133.5 230110985.3 77446474.57 31731205.58 209190742.7 56930333.82 104239457.7 130588828.4 59691078.94 93202307.3 145370667.1 215733312.5 238907435.7 129841351.5 177609723 203803776.9 98079199.41 195612282 224716826.9 49221960.28 18325644.19 130070339.8 141411852.2 146155987.7 238615489.3 198981871.9 246474749.5 181525587.1 214953853.9 264234554.1 41234874.29 88129833.9 257268910.3 251437721.3 77990882.17 125395613.6 218720747.5 231221026.9 118276080.9 229994117.8
O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(icosyloxy)propoxy]phosphoryl}-L-serine 1.94E+06 1470965.598 2003491.848 1187261.204 1113116.723 2206955.25 1683966.482 1203075.833 2516814.031 1886519.96 2478006.367 2224146.838 973714.1343 233211.2837 2207526.504 807305.2634 1584879.207 1658837.608 773014.3457 1093159.993 1751816.911 2757515.683 2378858.747 1832201.153 1782790.673 2340361.06 933219.8108 2139026.345 2593123.899 656947.3514 220813.328 985797.6127 1172276.866 1521545.088 2127748.118 2317590.753 2416303.555 2278237.746 1583038.586 2387819.873 456656.1543 865640.2872 1365994.414 1593475.979 1284334.526 1176243.275 2007283.802 1600437.793 1136112.467 1398948.389
O-{[(2R)-3-(Docosanoyloxy)-2-hydroxypropoxy](hydroxy)phosphoryl}-L-serine 7.69E+06 5758607.316 7729270.592 4209397.716 7018632.891 17228457.79 12573418.13 4846678.021 13031235.54 4585634.751 12253969.46 16909998.71 5627952.617 703762.0489 13797467.26 3636182.55 3852912.951 17378250.96 4118599.894 5994729.178 6896074.829 32492006.91 19707239.11 12945181.15 15351794.81 17447337.27 2087481.496 18991189.44 19327647.7 1502131.641 967442.1582 5555421.305 5023548.876 7340826.107 17356253.02 16437568.55 21491732.08 14869668.2 29900287.54 23102336.64 1384497.162 2637765.021 20364982.42 15566837.15 5191792.293 3920031.455 14876034.59 25363413.82 6316602.199 27689837.29
O-{[(2R)-2-[(9Z)-9-Heptadecenoyloxy]-3-(hexadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine 9.40E+06 9723556.055 8267904.705 9748921.548 8746072.245 8144677.463 10227681.92 8746942.9 6096611.495 10233291.9 5970727.718 7588833.295 9340718.796 4442556.391 7064200.07 8417210.718 9042773.039 8678867.054 8227173.549 9080791.365 10445296.7 6603613.167 7592680.866 9763676.882 10441424.53 7409769.951 8866708.843 8321333.558 5832621.531 8059713.545 5113439.48 9128951.612 7923534.596 8850956.376 9644109.277 8316048.445 7156577.266 7938538.382 9256284.806 6874242.982 6245662.109 9219999.974 7067056.865 7405952.815 7021459.295 10484664.36 5754807.421 9146426.078 8774142.75 6847755.326
O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(octadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine 2.11E+06 1501734.15 1745441.169 1322653.107 1761052.642 2515261.689 2434902.545 1378692.409 3199732.762 1623200.452 2581802.294 3298168.823 1451807.687 608898.6995 1692647.41 839211.7823 1332620.23 1834308.729 980562.7354 1645462.915 1385698.123 2069440.24 2784040.302 1359077.387 2104065.944 2916553.701 1215749.699 2277095.857 2195049.727 707591.9568 369475.4311 1426535.304 1362619.841 1333491.464 1730629.294 2340596.521 1782827.377 2043359.846 2757148.82 2483486.703 589514.3291 1196743.646 2023419.098 2330410.808 1444130.889 1390817.223 1516287.105 1771147.528 1095063.524 2059225.049
O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 1.53E+06 722144.5474 1297496.387 772593.4112 568423.784 1249106.233 1508496.407 930059.4436 1342166.179 837670.6179 1781962.687 1310233.642 658003.97 299604.7683 1534197.542 520524.2868 1192206.69 1120157.657 738557.4699 700045.1805 1063259.528 1429056.362 1207193.999 749318.3369 907174.7556 1566240.244 733216.0796 1397184.176 2077182.647 433220.1087 351325.8792 739410.2824 1274136.828 689680.8055 1050718.398 1018579.224 1529643.991 1311205.46 1480372.163 1086550.593 396708.3112 511399.4034 890445.4653 1220591.971 1010285.426 701396.9818 947297.6377 1029135.878 1025493.521 1836690.967
O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine 1.18E+07 8198777.69 8108373.672 6385309.466 11643953.15 16040963.46 15529558.97 6205391.454 6771305.758 11922433.75 15907929.4 13417474.47 4411916.396 1304406.214 11719344.58 3236084.709 7160054.557 14830833.47 4258275.024 5747032.406 8517443.417 12568357.73 17380185.9 9272046.235 27288720.21 27586060.14 4894306.268 12889356.65 14439865.23 2961927.597 1527241.88 5385270.152 8795954.812 7247254.673 7470520.177 11566128.04 17514569.14 12294310.3 21068979.93 23225036.12 2183557.067 3232625.468 20844797.04 22196362.84 6262838.732 5134805.585 13420108.41 11453540.18 7251893.956 13317403.24
O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 3.20E+05 62229.99799 356316.738 65812.19789 88345.49993 188746.8869 147159.485 103233.0756 319390.2361 135712.1194 276602.9453 123411.5044 80261.63674 28474.55074 647355.2814 33106.27917 263357.4221 177018.8281 111019.5432 63465.10709 136500.5779 202475.1791 158858.8313 117180.4221 168940.2555 247772.8852 94228.39174 387338.8979 236845.3651 25574.03423 44229.54918 64460.79736 246485.4584 96079.84647 135709.8362 85527.82428 160706.9792 208179.6167 275742.101 576500.7993 34273.41567 91120.6308 380436.772 121295.3805 531251.8917 81418.06868 169725.2267 139858.4768 180692.6359 492253.0137
O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(henicosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 1.48E+06 601765.3751 1073900.181 697181.4037 806193.7199 1010992.658 905385.8219 839657.0107 1159284.266 748816.2055 1302403.641 1008451.86 598569.5442 213224.2033 1582152.147 443221.2912 704289.7131 917942.1882 558591.0456 764555.9882 861417.6201 1051649.622 1153316.745 826543.0699 969843.3439 1041683.853 576532.6837 1060040.323 1591240.63 354351.5317 243661.0437 650734.342 963830.3171 702744.1954 825971.6108 760317.5633 1347166.849 1014670.918 1058303.618 1115028.716 388975.4243 487719.3862 1319290.967 1307462.217 1016456.924 582799.8467 1047513.924 1170494.686 922096.0291 1375013.694
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(octadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine 2.49E+06 2117635.547 2284017.368 2027032.704 1949551.414 2372766.619 2341604.587 2040573.19 2119116.129 2303419.503 1789275.156 2359144.61 2321505.521 1442390.083 2298427.865 1732313.048 2298323.434 2126902.788 1875987.348 1815667.608 2229089.525 2424295.322 2104552.732 1922265.894 2320814.812 1934038.929 1845665.291 2425141.202 1655275.147 1757300.133 1123307.687 2243138.905 2155979.307 2059496.046 2335157.239 2267472.109 1966250.857 2091720.301 2119018.149 2167547.706 1367451.262 2004233.769 1968426.145 2012199.591 2147718.827 2170645.971 2073696.218 2228030.807 1888986.046 2140461.932
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine 2.97E+06 1145702.069 1513160.143 1316318.742 1355462.988 1544661.471 2435196.719 1313474.595 2157467.192 1528756.062 1851871.155 2282619.986 1329834.448 404214.7949 4410019.868 870666.7045 1544560.456 1489111.712 1046371.951 1225043.353 1364593.862 2277086.959 3205821.398 1483471.55 2703408.624 3290022.321 969478.3011 2433174.247 3912743.278 606611.0828 467785.3448 1045665.713 1365078.203 1338269.802 3820607.389 1823783.944 1701203.561 2230572.093 1723459.354 2798638.135 546997.3984 1070922.071 1330853.955 2737289.861 1922867.308 927529.2631 1517746.311 1143034.09 1814876.468 2023306.556
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(docosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 5.04E+06 2010598.894 3305807.276 2685196.54 2121071.262 2629003.22 4519233.792 2462640.837 5643087.079 3629694.565 4214762.313 8394058.187 1753652.374 515546.4798 6793329.327 1284870.54 3713230.14 4222147.115 2163259.238 1873979.167 3567910.24 6737489.445 3790266.369 2275148.136 3439189.947 6749336.314 1690955.33 5999800.501 4074257.283 1161459.835 1070556.635 2329430.159 3890159.641 1893831.394 3585062.491 4311160.077 4391245.925 5029871.849 3838293.875 4624179.868 747020.7763 2276257.206 4291806.073 7039001.446 3084363.675 1599482.561 5669155.129 4879091.692 3131442.174 5095461.138
O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 1.15E+08 89508707.86 18924877.22 63939649.35 122979422.1 130266306.1 162960320.1 73749264.93 197856324.6 123797202.8 139027485.4 177546311.3 69211226.51 19916698.21 105473391.2 32802922.06 79829208.95 85331707.81 45352858.55 57856046.12 52906552.5 160228390 210849618.9 34487761.52 144860082.2 107497200.7 53972718.65 145992462.6 171351462.5 32639247.87 14974146.6 90016404.72 43423815.7 104605891 152541928.2 149734338.3 53201440.09 124305470.9 194628771.9 105000924.9 25869782.87 47453373.19 97009780.08 196641141.6 66334371.3 98690077.36 176380076.4 165871368.3 77968760.41 201028341.4
O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 3.21E+08 5639488.362 10886452.45 2928194.445 6891264.229 393209835.9 364827169.2 169742922.8 15517271.66 324718377.9 290256695.8 413793455.7 2859564.283 1448733.426 9833404.919 1642592.169 4723080.978 319694528.9 2802513.366 3723647.036 277759392.9 392197532.4 15764857.08 3852560.131 358219436 324529325.8 4022044.952 13859296.75 13116965.07 1892834.522 712473.6464 5729165.873 246267647.7 232967240 20008268.25 6937929.489 22306707.63 337561640.6 402352481.2 18282632.84 1575134.35 139928755.2 299507874.3 391686544.3 5366299.117 7162480.264 316659920.8 400803556.2 231779279.3 390533085.4
O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(hexadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine 1.58E+07 9079008.028 12402517.54 6493264.498 12686838.36 12841796.25 18046225.88 4989338.985 19780935.18 16531907.09 12865222.06 21816593.82 7379085.963 2557237.737 11837489.83 4770874.216 7499292.763 15146192.89 4768767.461 5887079.219 11883029.93 13111463.57 11277020.69 6708616.124 19425485.13 14026508.61 8283815.517 16465866.1 11510818.53 6040623.653 1956700.496 9461487.962 9856731.662 11795105.14 15199889.81 14758554.94 13781372.13 11846246.62 21563605.72 14249562.13 3321726.044 5953980.51 13688180.73 16091695.89 7891384.863 8174909.668 10095638.23 13297088.81 7853541.062 11466570.65
O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(docosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 5.41E+06 3636231.636 4567309.734 2437668.93 4809875.048 7411441.767 4369119.94 2738012.797 7329501.282 3513535.525 6613189.818 4930669.897 1686294.296 440826.6877 5703412.232 1474077.964 3339666.702 5649491.914 1522277.136 2510485.463 4418862.824 6272916.796 7303289.272 4516876.597 4137583.214 6637981.6 1786905.414 5047104.226 8104983.594 1159031.932 441302.7366 2535400.771 3657233.055 3997065.503 6217837.608 4888326.571 7598841.182 6575233.821 3785684.449 5064541.219 729309.9161 1223687.452 5099780.004 5295626.126 2565571.057 2934273.946 6701906.138 5613765.487 2879349.689 5655801.873
O-{[(2R)-2-[(11Z)-11-Docosenoyloxy]-3-(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 1.70E+06 1035464.782 2579563.502 929083.6391 1386568.645 1979922.284 1674169.731 596279.9485 2937025.68 1746045.165 1581290.69 2514421.585 1099687.029 312216.0693 2223726.896 382828.791 1323560.437 1207703.195 504625.462 955157.7632 1015944.472 1830094.467 2370194.538 989520.5809 2262630.399 1992720.706 899254.3848 2613628.503 1666764.428 415374.975 218061.7706 1544224.939 1326595.129 901101.2862 1519679.767 2230888.217 3683553.739 1699762.98 3028489.129 1531475.888 277782.8708 990672.9096 1833560.112 2561377.99 1589850.316 1347109.583 2348463.668 2706104.494 888154.1403 2496823.652
O-{[(2R)-2,3-Bis(docosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 1.15E+06 688825.1374 1189447.767 656553.3223 766856.61 1250851.408 870844.0913 393313.1667 1877426.614 808381.5974 1175323.898 1782563.18 379415.7635 52943.15048 1566917.903 244642.1585 684570.4093 1216350.77 275811.8644 541992.1502 1088466.3 1119571.661 1630927.326 963328.4684 702733.3023 975056.4515 436519.3552 997280.3463 1392311.055 274100.7617 43859.78929 565916.6241 852959.5182 889336.955 1131502.332 1234562.383 2401457.119 1204162.119 877548.9407 1205852.722 150201.007 255477.1975 781935.6354 1994738.45 659418.4171 490215.7932 1187277 1389347.465 505310.7368 1226211.421
O-{[(2R)-2-(Henicosanoyloxy)-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine 4.25E+06 2523143.305 3683391.115 2557309.634 2522812.799 5788470.175 4296106.338 2095422.941 4755844.499 3830234.438 4448095.853 5373976.975 1960137.918 461695.1223 4853293.232 1742365.162 4315220.464 3907838.792 1501102.13 3173516.758 3448829.937 5541322.844 4024035.608 3651069.695 3868929.888 4456581.005 1481525.699 4257203.506 4640159.492 1281819.713 461951.8344 2108578.611 3009333.995 2842727.845 4437874.892 4709004.4 4113187.422 5069713.922 5088149.259 4028349.437 770331.5484 1471021.105 3026525.99 4815051.305 2349210.588 2028974.252 4259255.179 4952631.515 3571862.61 1030165.326
O-{[(2R)-2-(Docosanoyloxy)-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 5.70E+07 37274683.36 68188869.59 32210320.99 43503385.61 57477595.77 60795537.01 28337931.04 96154683.85 51065579.28 55476936.36 86645566.58 28010873.3 8146527.871 70980493.43 12938452.7 34159697.6 61536011.91 21453884.16 32288349.38 52078172.23 85402934.3 80563113.43 35505878.58 59109044.57 72656187.92 26643622.08 88768829.75 67294912.7 14049608.52 5250152.616 38492114.35 40544938.81 51277337.7 96882568.58 87040625.82 88803999.53 82455423.58 75501955.56 54002790.06 5699834.18 25171418.4 64125515.74 100338549 35175977.96 37786175.72 62008336.58 77872249.58 33354334.83 87252690.42
O-{[(2R)-2-(Docosanoyloxy)-3-(icosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 1.05E+07 8104110.343 10887333.08 6568261.635 11781234.51 12311029.37 10977233.4 6568778.118 16841286.75 7927302.7 10534290.92 12571745.1 5556524.103 2170346.321 14018882.85 5457335.094 6753198.16 12728585.97 4895862.996 6583139.978 9639890.618 13079416.37 14417936.35 11859560.76 5587121.585 12974988.17 4253917.758 8571772.979 15435736.08 4483386.442 2187136.398 6879983.526 9149643.521 9602372.945 11680199.2 10049959.78 14631114.22 11037048.31 11383601.38 11214415.17 3848098.301 4900959.541 8931417.129 12573969.64 8336154.585 6397909.35 12936823.91 9940738.754 8211028.742 10779829.12
O-{[(2R)-2-(Docosanoyloxy)-3-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine 5.74E+06 3054223.164 6110006.022 3122798.087 4027172.969 4931550.594 5551681.309 3003558.549 7764975.234 4687162.759 5887907.967 7855090.538 2865215.15 844361.3199 6432992.678 1517380.964 2802098.606 5700711.484 2097340.857 3174753.273 5278421.583 6964147.262 6854112.002 3515775.987 5374857.16 5983951.054 2410959.2 5658781.602 7314996.77 1540351.878 745670.8972 4353666.234 4114339.283 4653853.95 5367291.273 6612067.06 8781988.752 4426243.578 7872165.39 6567423.008 1214476.169 2738967.174 8617832.469 8505951.463 3461624.273 1636225.322 6179306.491 6910218.427 2976665.386 7793921.767
O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-hydroxypropoxy}(hydroxy)phosphoryl]-L-serine 6.71E+04 42686.97017 200101.0221 29068.31798 76251.6226 697239.911 249114.7697 37207.69117 231435.3573 24337.0241 105991.1898 294027.2532 32920.19099 12780.45282 138549.9549 27465.64418 29425.48785 243549.5177 34636.63712 35853.8667 26316.98113 124009.4932 214815.21 79746.93053 315754.5207 184039.4872 8375.589659 438655.2049 246512.5917 7563.437368 11774.05071 43203.0765 75873.62404 55257.12931 428867.6659 78746.96246 566714.5237 175923.5564 409186.964 288556.6852 5618.700372 26683.31502 232425.4575 179673.0355 57951.83616 33600.05631 138347.4131 369761.1395 69174.39091 734057.6223
O-[{(2R)-3-(Hexadecyloxy)-2-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 1.15E+04 5635.622139 4087.661669 4062.975482 9968.112447 9795.309083 20744.45108 3920.291096 16534.59379 9941.849595 9079.205426 10252.5626 4139.662116 3754.00385 5968.516018 4876.620095 6946.517141 10333.38843 3982.921687 5380.865164 9214.094352 32627.93074 13603.96567 17293.40701 20643.75137 17667.47299 3880.640337 13727.29137 27961.48182 3827.476656 3705.965826 4890.3159 8489.739702 4902.428335 14445.04317 8983.306905 10391.34274 9623.740997 24142.79259 10673.41175 3672.140605 3710.102383 15390.9801 15089.68059 4120.560589 5027.931728 10860.14366 10325.35766 7953.118466 22291.02123
O-[{(2R)-3-(Docosanoyloxy)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 2.18E+07 10611021.9 13984169.9 9556319.771 14530428.18 21269442 14763223.27 10261920.57 20515750.34 14421430.4 31363473.44 21084685.12 7016121.108 2355398.024 25225516.91 5854769.195 11437106.68 16132265.75 7256392.448 2186689.454 14965156.25 22543804.9 23298473.6 15685429.45 19103281.63 24193810.22 8538326.413 21522950.81 35255368.15 2912000.692 1560656.492 9004724.349 18012176.79 15707534.39 20131070.84 13814627.76 34271148 27004361.45 20806733.04 19084202.64 2522752.247 7432748.907 28264886.78 21273966.1 12824502.72 10517796.37 24993947.03 21377148.01 14952459.99 22374724.78
O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(1Z)-1-icosen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine 1.30E+07 5893440.772 6103477.302 6698996.318 9912802.927 6015011.257 12233099.98 8460956.307 11368519.93 4246503.955 9219747.228 14385348.82 6034579.425 812715.2001 10524813.29 3366617.277 8122500.121 10165316.53 6351186.595 2490205.347 9035400.671 6957843.593 13757914.4 9300219.608 10315796.97 13718221.98 3681020.224 13968127.43 16845716.78 3185065.982 1561591.75 5051297.772 8234225.44 8003059.48 10067743.27 7862715.743 10448746.83 11688045.99 11204776.99 12892846.5 458490.0129 1051260.071 12954095.36 10160598.25 8199314.894 3186168.166 11910251.6 7997210.365 6493170.563 11404894.85
O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(11Z)-11-docosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 1.11E+05 76225.59942 145405.2891 50224.36978 106321.2183 239764.0249 109992.4148 53178.66322 251228.0448 74788.63405 181710.6507 196658.1538 33113.80666 8056.006274 246015.3477 28862.29972 76544.85541 140424.2251 25744.09039 32871.48906 139052.8277 174367.9637 281697.0663 127874.0958 85356.38721 222814.5501 36506.49394 87187.46875 250808.4669 14914.20784 4275.16048 71040.56812 96728.53618 76100.29336 304969.2622 108311.6719 67278.87961 228384.4891 189166.2787 145745.8461 18881.03324 19692.32517 127866.6212 234897.3777 44194.64358 76712.55282 290050.3018 175444.527 59639.57967 226795.8397
O-[{(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 4.05E+05 341853.0166 711427.0691 352284.5987 457089.0105 811399.7023 1191432.896 303177.4169 1131074.455 549649.8716 458740.6712 1557734.015 360344.5835 82442.7064 1296535.216 110742.6933 457278.345 732657.4984 208598.8117 247997.1231 345542.5477 1537472.247 1021227.592 345246.0643 1042901.504 965383.8564 199022.3782 1075654.014 583697.7608 137069.7864 65616.65169 441876.2525 421186.7953 370552.5833 964014.1312 732063.4566 1715169.535 784100.631 1552915.831 1165490.905 75000.43028 230239.8962 671058.4351 1345437.093 591415.0086 456053.5641 1261490.984 1101410.312 505291.7465 1162152.907
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 2.32E+08 159320753.3 206919249.5 126012789.4 189699953.4 289794149.1 254129056.1 163630285.4 317615935.1 178447266.4 307195491.2 279281693.2 104029205.1 31295236.2 252611558.3 66851596.84 159286606.8 263975546.5 84613541.52 119377585.5 197119668.9 279952291 289562689.9 195124565 239768977.8 334575700.6 117292267.7 227817835.7 350465332.1 44960331.6 25444567.44 118795573.1 17349979.9 196749058.4 254773036.6 207637988.3 320860087.5 266789871.9 259632618.2 353183913.5 50548100.57 72067931.03 293705586.7 245023890.1 122067673.3 113140739.3 295065483.5 251507258.1 181997197.3 321923124.9
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(9Z)-9-nonadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 3.19E+06 6656276.438 6950737.945 5385662.237 5556910.602 8846430.512 5746974.453 7271290.407 9562015.72 4597471.664 8038406.349 6133317.763 4523220.374 475011.0489 7824286.047 392694.4894 6997979.806 7523914.596 2242251.532 2629223.522 4048739.651 6943053.093 7408145.547 7573381.438 7241872.245 11446947.55 5586068.024 6823164.006 8432624.331 3012818.036 702427.214 5140700.689 5720536.238 6273808.248 4143276.237 7309149.141 10005253.49 5612426.814 8139515.837 10719350.49 833482.6312 3459446.088 12704378.51 6703276.731 5298471.024 3636282.813 5928031.676 7319399.962 6347615.404 10762920.47
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(9Z)-9-heptadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 3.52E+06 2918609.424 6230086.037 3514576.222 2033629.844 8810914.451 2877373.701 3558143.029 7653629.475 1311152.165 3426435.066 2682674.277 2430927.623 2129849.671 5236791.849 2659607.916 2165283.586 5384378.396 1186436.763 1065584.927 1852623.788 5406111.473 1923511.958 2456587.117 4999006.602 3122930.164 1444579.251 6915285.267 4767115.44 236971.7236 588891.076 5009155.473 1274085.838 4048269.317 1683922.431 2300831.554 1651390.793 2727262.037 1818008.453 6830689.798 897673.2391 3300049.489 3429870.761 2848115.043 4292876.61 1266046.922 2801913.818 2865787.31 1939118.534 5040487.058
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(1Z)-1-icosen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine 6.77E+06 11703834.13 6010817.286 5401203.758 11420548.25 16993533.58 11651790.65 6356981.868 9345975.865 9073330.962 18691386.25 15979186.82 4535791.623 1304438.705 9315696.607 2971048.098 7459209.469 14417686.98 4258837.581 7900265.965 9484326.911 5650518.159 22046419.06 5343462.162 10929907.28 17056473.17 4838765.351 12835034.98 19390035.16 2816415.829 1034574.709 7052020.107 4929477.58 9965476.243 15339354.18 11918604.29 16817212.76 16288911.68 11763902.83 11684136.27 1807111.42 3553601.43 6903750.526 14541534.06 5994564.412 6813290.89 11608297.15 14314873.67 5315262.343 14158155.11
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 1.58E+08 94701317.37 110014507.7 63857382.45 128142330 189536225.3 161724724.1 108655852.7 233917241.2 111297381.8 234508458 163103467.3 60291596.14 21711225.34 155019334 40306749.34 128195884.1 136535238.2 57795008.13 66411753.92 125324153 171959080.2 219297104.3 157843386.5 132466992.2 164723125.8 75676356.5 144277138.7 297419803.3 34511227.86 14846820.58 88718212.76 125909983.1 128618203.7 159098283.4 123284838.8 238768661.7 237128662.5 153121838.5 226526537.5 32755576.83 52661921.59 254099809.8 171794677 79972274.3 85367411.21 206818637.9 169084445.4 128337321.1 189544017.2
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(11Z)-11-docosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 1.01E+07 6972957.82 7654490.503 5550503.377 7273280.547 11170077.71 11241363.78 5204949.461 10444387.03 6332585.755 15133505.99 11118035.38 3642020.172 1053639.273 8806878.878 2259847.052 6041886.536 9813067.242 2682860.657 4752480.478 7301828.651 10732780.38 14188765.87 8266433.747 9586820.907 14685889.56 3381466.072 8460829.736 18812753.57 2229697.13 744341.1157 5011751.231 7805789.896 2794101.162 9421069.426 9936628.395 13951507.53 13864023.2 9427425.17 14163183.73 1707771.177 2342562.025 14793789.22 12839750.49 4421431.757 5710812.309 13095044.09 12335544.55 5840249.711 11498107.6
O-[{(2R)-2-(Docosanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 3.57E+08 273180097.7 397778458.8 196100950.7 252923607.4 429306735.5 429078891.3 189147206.6 404775890.1 347565344 313883427.1 453639821.1 185582216.9 50491533.73 349710693.4 99506416.38 264648324.1 353486419.8 127049409.4 185077789.2 275596124.6 422115628.4 429560297 276566556.2 384912109.8 374197471.1 153531297.5 386557382.5 369426816.2 98621503.28 40026357.65 196078926.8 280495763.9 255420518.3 485405275.7 346264488.6 467496002.6 354419099.3 445439629 358178660 66815745.04 151511449.8 324830179.3 443081398.2 206298445.8 231497991.5 345293430.3 446930157.8 253233136.5 427947611.6
O-(Hydroxy{(2R)-3-(icosyloxy)-2-[(9Z)-9-nonadecenoyloxy]propoxy}phosphoryl)-L-serine 5.58E+06 3286890.754 4112223.219 3392943.829 3190481.272 6333864.629 4645806.232 3311287.119 4498855.017 5022838.893 4638415.657 5339838.086 2896751.74 732126.033 5216426.247 2608657.778 4640447.512 5191352.909 2302095.062 2961249.911 4511047.173 5568851.083 4648236.924 4436768.652 4545752.72 5795533.775 1945939.049 4843910.042 5201239.033 1952994.379 829102.3881 2781586.653 3931596.844 3238963.287 4661401.842 5303524.156 4226023.197 5805005.305 4768452.137 4074652.962 1180781.42 2348742.582 3840913.539 4813083.712 2766624.92 3075230.163 4857123.964 5542720.492 3595490.137 4948100.014
O-(Hydroxy{(2R)-2-hydroxy-3-[(2-methoxytricosyl)oxy]propoxy}phosphoryl)-L-serine 1.71E+05 95696.49441 150357.8544 94824.71826 58176.06899 280024.1146 164671.9111 69000.90718 166961.4784 165269.4822 166858.2078 308410.2636 94137.42033 9928.458663 340037.5268 62953.78709 147789.1388 285713.8744 71233.33648 250746.4257 140295.3332 521698.5806 240196.1028 178052.2645 225574.5856 295972.9668 41652.23784 241642.2863 262129.9027 29531.42071 16059.07609 95293.35262 126152.5395 120075.0851 264431.2747 264233.4461 235153.6526 328746.6675 303868.8129 200516.4256 9824.774686 56579.10642 175451.9458 262983.7642 123864.1958 112316.5302 278776.5941 270279.9382 146806.0658 282407.1263
O-(Hydroxy{(2R)-2-hydroxy-3-[(2-methoxyhenicosyl)oxy]propoxy}phosphoryl)-L-serine 2.59E+07 20193775.92 22311721.51 11855416.23 12181518.74 36620632.86 20590397.32 13507096.61 31718968.89 19331233.19 45360563.94 40591633.06 10470062.72 2539602.718 36681525.16 8181265.907 18566977.36 33806272.7 11467159.51 24338425.07 28997296.97 81779184.07 52125458.18 37124197.27 33891056.87 46770858.23 10766548.2 41913607.61 67911683.37 5062903.445 2570058.852 14200650.63 22019615.81 29693460.97 40354795.72 43692292.2 51760233.56 60603700.44 53754866.17 43769929.44 4076927.283 9461057.023 52774804.6 56306367.5 17067482.21 18727688.17 34543799.66 61780769.1 21501311.6 49569157.08
Nutriacholic acid 1.41E+04 12322.57844 57560.47651 20797.61277 64970.06792 306499.4093 74690.34504 8503.227161 136091.6556 50811.18317 121369.9073 84131.03135 26882.73147 8654.318754 25483.61663 16161.14794 51204.2351 44283.76687 11960.61515 22330.42797 17180.79549 39014.63784 64564.29212 75323.3213 63699.35482 85030.4959 9635.968997 204841.6362 181210.3024 8898.81338 9020.495674 19777.06727 15213.9177 23424.51457 104865.3905 52588.10906 127209.8188 147598.282 127299.4039 37881.7375 8854.177898 17059.29902 148209.9263 58130.15935 59620.10853 16041.43575 34896.49491 140712.2911 46705.5581 118175.4169
N-tetracosanoylsphinganine 1.55E+06 1132374.973 1467685.369 814848.2319 967810.7322 3267736.206 1598736.372 581868.347 2431420.468 2587680.198 2284324.88 2443367.347 530529.234 121755.0861 1893698.007 400844.6058 684970.6481 1880383.727 315278.7922 809079.6899 1140660.801 4334987.939 2645756.189 1096225.144 1349117.401 3094211.684 485215.4492 2309646.71 3618138.138 266637.3429 95653.94522 610762.8128 995911.0894 1525937.446 1807502.041 2472057.057 2662978.053 2311981.32 2168943.968 1853169.667 181719.8203 618530.2448 1828775.313 2060906.33 570226.5779 637798.5144 2010377.98 3056635.226 622087.4044 2717565.851
N-hexacosanoylphytosphingosine 6.64E+04 42737.7921 97021.24429 30236.90995 28681.48233 145305.3205 71443.8098 25796.74426 113872.7457 135711.1822 108549.5931 112035.4519 18131.8966 4842.549548 86695.24545 12691.6997 43697.34103 72813.27112 17548.72081 33089.82209 86455.97308 198563.4622 143813.434 48561.25977 99850.52076 130986.3393 11888.00049 155533.8607 151568.2365 6861.28371 3316.735843 36886.12148 61852.7449 61482.27652 151543.7893 111918.122 166087.1647 190000.7576 136384.7676 204310.762 7821.523989 29145.41082 109787.1803 153120.7855 20917.27105 42869.84165 84896.86881 146731.1501 45258.09416 163722.1689
N-3-oxo-pentanoyl-L-Homoserine lactone 1.78E+06 831671.7922 2939586.987 1119607.07 1365047.128 2112338.039 2753868.378 818432.6636 2498568.138 1348223.385 1713946.682 1527627.631 896738.6566 388747.8563 2053642.817 649393.9875 1368458.325 1901768.254 824682.5124 762823.7326 829497.7974 1526667.279 2082615.957 968886.9275 1980342.131 2565935.476 812738.126 2780374.78 2654202.263 411768.4084 505427.0882 1406003.788 1451860.497 1066045.099 1574283.173 1112952.184 3078037.94 1752295.623 1923903.191 1625915.034 354865.1301 788926.9215 2052165.585 1680934.819 982132.778 932060.9502 1852628.14 2074093.056 907412.9506 2153026.772
N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]-L-tyrosine 5.71E+05 25754856.3 497913.5727 15998228.66 610702.1589 1669123.922 1335406.46 17722343.24 1354480.76 19241320.65 828491.2668 1575377.141 12935549.7 2475817.643 1186541.806 13599973.22 20414695.28 1168124.364 14853534.49 29734840.83 29649360.08 990421.0043 1516954.753 576798.8656 1078920.752 1343891.656 8143792.72 1512465.5 1659094.597 5234633.171 2761745.999 19317950.32 28675512.58 32476087.23 1880804.595 50107627.74 3560658.975 1011401.637 2223096.668 1640343.933 5126604.112 10327053.57 1636538.253 1166957.963 19214316.32 18574332.73 1137435.538 1371306.305 30101390.12 2643454.821
N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]-L-phenylalanine 4.10E+06 2946480.511 4528558.667 1591769.551 2178689.919 6256920.35 4654663.612 1725507.117 5654855.644 1395428.277 6563292.782 6088077.05 1442769.835 246772.0362 5263211.013 1623121.678 1735733.468 5966829.99 1478055.381 3214813.89 2195823.497 9168266.136 9152967.007 5174389.756 4441986.677 6264592.453 620783.2968 6284185.229 8738832.739 592614.7856 318944.0658 1744938.732 3094743.535 3838668.542 6412901.475 5499950.449 8282125.539 6180994.064 7548158.879 6848082.771 653429.4284 892565.7714 9704155.456 6217137.799 1720343.563 1520493.601 7207582.465 9784327.806 3813584.154 12963146.18
N-[(2S,3R,4E,6R)-1,3,6-Trihydroxy-4-octadecen-2-yl]pentacosanamide 8.10E+05 389568.2128 742176.6758 375994.1882 344703.9149 1448390.85 680801.4297 277462.6538 937979.3516 1195480.311 1051187.766 908385.5082 232717.6455 46175.73019 827188.0772 158992.8192 314355.464 664376.5164 179467.8241 332429.2072 542219.5866 1599966.124 1184299.142 488921.174 722659.6407 1173738.82 148270.042 1341502.352 1953170.626 102229.5488 36780.40822 253517.7333 486278.2788 533851.9214 894586.627 973424.604 1280587.913 1223490.634 1064132.504 715618.2884 59257.23191 320509.2314 722406.8052 784941.743 274193.9086 280681.6291 840300.9942 970305.2862 262277.4166 988342.6639
N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]-2-hydroxytetracosanamide 9.11E+05 489329.7905 736464.1266 395968.9109 427769.9778 1232733.696 638880.3187 468057.3924 1806466.598 970254.4624 1704112.163 1273640.077 260162.0561 48908.1614 1455000.903 164838.2743 270614.4747 839335.2221 192392.8597 359817.2894 660318.5734 2269668.323 1727688.187 528678.4594 652399.1748 1729557.041 283578.0831 1580221.498 1758202.385 134183.4769 41121.8863 316578.0791 522420.2017 494764.4276 1007772.653 1094314.793 1589944.884 1109649.358 985244.8323 1252746.47 100456.482 316914.8773 1453300.692 1231625.74 365786.2588 352240.3111 1563446.808 1401083.235 234733.9308 1513722.197
N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]-2-hydroxyhexacosanamide 3.57E+06 3027955.299 3932516.236 2160319.376 2210442.122 5849273.681 3058398.24 1758963.103 6558517.911 4369776.605 7166022.462 6049415.515 1094059.683 307799.2098 4164635.805 853727.4021 1287494.402 3918999.43 818850.1356 1970086.236 3666785.778 10301772.16 8605260.76 3039964.565 3411376.018 7441314.407 1301049.459 5819395.442 11021720.1 710055.3445 234642.577 1448359.25 2515400.885 3165050.185 4961870.381 5166582.618 8044466.871 5312600.662 5062775.639 5157206.948 522974.2096 1323898.377 6454328.529 6157480.769 1474675.205 1758205.323 4309219.364 6635687.376 1417645.05 6298121.358
N-[(2S,3R,4E)-1,3-Dihydroxy-4-tetradecen-2-yl]-2-hydroxyhexacosanamide 8.32E+04 32122.86621 68789.97458 21798.27048 26913.21183 141764.9343 52251.52906 24406.91696 186612.6425 87597.95052 136813.3072 116968.4767 12070.12629 4702.754624 99213.71439 5649.45201 34924.5854 73794.48761 11848.84286 23499.71713 56511.79917 219494.9044 131782.3966 47110.56098 49408.93235 182677.2619 16267.35415 153567.5235 309266.1935 5718.476467 7975.4711 29796.13231 64490.69034 43144.64875 83207.5784 107241.1099 121971.8421 143580.3945 94597.07356 149102.7676 5138.892225 9962.61379 139096.8692 120246.9767 24432.44176 28314.78064 82748.58396 136121.2082 31122.02662 142946.678
N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-26-hydroxyhexacosanamide 7.56E+05 457970.98 751543.4542 340538.0831 401560.4169 1223256.092 621381.9672 297866.4031 1074078.528 971272.6107 1178032.74 846057.5873 169570.8517 47402.06067 633372.0107 149512.5568 257393.4836 562029.5391 144867.9699 345763.3865 625274.4785 682568.5447 1347347.488 489258.3814 601303.8462 1078912.705 206878.639 1238812.51 1618436.232 102301.8171 29299.82107 245205.4654 490308.8174 558201.3471 945463.3125 933618.3398 1351408.304 1032885.275 980005.8715 576435.4323 77721.58867 263967.259 909111.2416 976848.01 242281.382 293963.1373 708645.257 1051667.967 284891.2055 429176.0392
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-2-hydroxypentacosanamide 4.33E+04 20493.45433 46538.56614 15283.75041 19172.45759 73717.16596 33744.98485 12496.40257 70329.92773 67998.06962 77202.88222 62277.83028 8452.816295 5484.162727 39233.98289 4063.373452 10124.34754 29218.78195 5313.246523 18256.90379 43644.58309 110122.3021 89251.6281 30599.88706 42784.11525 75442.65046 7436.242866 96396.73951 96876.81202 4388.078094 3868.084059 12839.06527 36203.21959 29419.43883 67836.37358 43630.83144 99846.36978 89605.461 72868.03915 109158.307 4648.17513 12625.74949 58034.7708 77179.69605 7365.617306 20967.77786 29863.13085 76614.99737 17216.13803 68445.52788
N-[(13Z)-docosenoyl]-tetradecasphing-4-enine-1-phosphoethanolamine 6.53E+06 3024910.497 4474969.12 2098602.113 3862055.977 7575856.749 5549330.25 2377618.751 9021163.556 4484924.955 6491807.029 7166678.778 1301657.469 351145.8525 6808271.441 1131478.71 3108320.995 4957045.107 1348912.584 2363976.795 4586978.559 6581535.306 9098139.787 4449512.467 4843360.038 7042121.843 1769297.717 5369282.975 6090616.58 900862.1939 279351.4882 1973893.497 4024199.546 3627048.202 6710866.587 4609598.557 7132994.652 6485943.461 5606046.69 5658759.924 816351.1894 1420616.162 4513736.563 6700749.34 2154026.986 2015102.982 7373732.636 4910203.424 2650877.992 4763389.257
N-(-Ketocaproyl)-L-homoserine lactone 2.35E+06 1123195.463 2492599.562 987951.3399 1564525.067 2338283.153 1901548.259 657753.5299 2321407.265 1505012.674 1782285.466 1471190.224 663883.1529 276666.9181 1959589.466 634082.4246 1429492.348 1322455.621 748185.3479 649737.0577 1051957.371 1466144.444 2282934.206 1110328.736 2026480.932 1663721.227 752778.469 2514372.293 2416536.076 459963.5319 338976.6546 1100851.641 1416286.007 1218066.247 1912661.635 1050884.189 2722927.755 1870060.914 1905848.468 1461489.156 348782.5762 638026.0702 1927142.973 1819718.083 1117825.249 1039896.055 2310547.924 2871465.57 1162014.188 2206254.025
N-(icosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 1.95E+06 958630.1132 1687829.153 583500.3603 841125.1855 2641006.607 1806536.335 592143.8949 2954165.434 1426818.048 1961376.248 2819337.236 440588.7479 146158.1182 2039353.936 279520.8469 1103882.139 1561159.422 318898.2682 620811.7819 1488943.988 3754409.803 3002446.398 966292.2218 1575143.753 3132193.262 284430.7841 2152888.529 3065495.157 258730.8683 36684.38384 496131.7522 1326260.456 1016647.021 2807009.705 1997933.897 2678046.201 2134470.868 2787137.85 1943439.08 205466.9428 327070.5592 1290945.388 3010489.759 726685.0589 714372.1344 1756779.485 2486984.659 923469.2507 1733519.841
N-(2-hydroxyhexacosanyl)-(4R)-phytosphingosine 2.50E+06 1694916.303 2466015.737 1170800.15 1319329.916 4183273.03 2253325.93 942579.822 3750465.726 3364149.49 3936258.253 3218537.814 707788.8073 167778.0411 2654049.237 556895.9683 989605.7439 2205755.144 529382.3509 1270056.236 2002468.169 4711824.076 4699977.872 1875992.548 2150357.274 3961652.872 711859.6688 4106618.462 6197807.73 387846.1616 141788.2495 984595.1664 1488380.325 2011033.251 3071199.854 3247732.481 4431502.53 3915518.162 3354910.042 2446699.727 302880.2809 840955.3743 3013483.092 3164903.784 918743.4894 1041658.525 2792945.519 3999883.545 869873.1136 3199290.93
Myrmicacin 1.53E+05 83059.14689 160459.9484 55942.91404 90044.29873 193550.6872 244448.84 58792.86782 143320.502 127762.9365 80098.40073 162109.1798 78564.9779 22042.83099 81778.90505 69991.44703 156550.5265 274925.0374 38180.14491 123838.0692 127500.1847 247064.253 104409.4034 88746.61153 120266.4653 144608.9583 34343.33466 137786.3394 81383.0366 54522.3186 34893.17033 73101.98749 64635.2909 148329.2589 172782.1157 126503.1027 109819.7012 71302.79775 219786.8236 72629.98624 24216.50461 20019.89849 57525.06872 52916.70028 50666.16948 88887.92256 70697.53095 88309.35918 73644.448 175964.5558
Myristoleic acid 2.16E+06 706297.5388 597085.7099 187180.3319 2182854.658 544924.9072 2893057.863 460354.9592 2268371.568 525924.5347 854652.375 1530179.442 226393.3175 208121.0635 530859.0001 808163.8243 493773.0714 1368918.359 751014.4101 1209915.788 1300200.361 711978.1897 3687333.753 1479619.162 1804003.851 1845328.12 746817.5936 586188.3885 1294311.618 688020.2447 167130.172 925641.6643 2022246.18 659508.7286 2299426.593 427665.1423 1846135.878 735400.6608 3249211.553 1345039.86 319996.437 176904.6923 1020763.869 741657.1957 263515.4448 901302.8555 928086.8018 1375405.467 321869.3643 4049977.214
MFCD09743632 3.24E+04 11360.38122 27351.68024 6715.400068 42172.91948 117045.673 48720.55108 6657.749561 79616.77576 26707.8877 98278.14183 103222.886 6727.284686 6489.027201 39468.12617 6571.35134 23902.10898 52646.08701 6588.471542 7415.778716 16481.18792 72905.634 91080.80449 41767.58456 55734.55369 85392.46899 6466.009802 185000.3453 101891.1842 6238.106513 6357.830651 31076.91849 12728.61656 52616.33647 127344.1475 57111.92915 107839.1027 91346.03647 108666.3385 96781.89459 6296.925759 6540.867968 78832.79567 98234.43632 55187.55366 71125.56678 22974.73916 92161.8535 102706.019 63545.87567
MFCD05864120 5.51E+03 40950.50556 9252.175805 4959.378824 3854.230351 7691.119984 11434.81494 3069.636647 47464.45374 5662.560195 8121.453656 29766.26648 49897.43275 3261.577563 7301.574009 4237.050418 3004.632248 21559.3135 3113.888553 17016.25538 4706.83267 216666.6647 3077.532696 3178.32306 3957.44304 4659.69873 7280.520151 5251.209368 6511.511938 2987.390251 4013.603691 4280.326437 2956.706352 60449.32801 2989.595554 3032.081572 4776.74176 5058.371366 151161.6835 5932.107666 2913.743497 3080.931887 6177.134406 6925.69938 6157.102614 5926.66384 7117.620543 3008.366841 3773.333475 3137.918521
MFCD00270077 1.04E+05 50247.51832 113703.4269 39237.82509 75741.59226 220382.7748 66073.30524 39064.89986 218983.8169 75692.76315 178262.413 245765.8756 50250.95533 45436.1783 170357.8282 32915.64778 51586.87238 75372.2522 61230.83328 55248.46212 44103.54481 63495.8042 195864.904 120579.7331 173513.9046 104154.8359 63688.86491 158909.9754 161725.6415 12853.01847 26419.45077 32774.7071 34319.90443 44866.56419 100913.8241 66401.15204 226211.9446 109796.1847 116732.9404 154457.3588 17152.12154 19776.96797 103204.5899 153426.6668 25135.30818 44052.7041 214177.7417 256520.5551 46260.50295 117384.9736
MFCD00059633 5.74E+04 17797.07515 25940.20536 24112.90952 57615.5184 38551.0868 89470.67055 13510.49854 47799.01406 66224.84273 22799.41476 24362.72817 13651.61529 4208.553819 21511.91065 31671.90417 28113.11983 23119.00217 21444.21798 49548.8253 35654.01234 81530.95998 51456.65462 21796.53196 39821.27868 58240.16583 7019.841668 41449.74414 35963.52671 13931.97599 4107.712904 16399.46524 46501.63818 30148.32179 87786.4671 52491.11393 49816.87847 16564.85512 72292.32409 55295.09674 17979.70929 6515.933131 17699.29295 24167.2738 12846.85077 15274.23289 21249.98152 20929.00083 23919.04209 75784.72781
MFCD00010474 6.58E+03 5964.222508 14543.93115 9293.052572 21082.95544 205330.7339 20224.28469 4989.646235 71771.78524 11413.1752 57360.36835 42605.7231 13019.89835 4940.406355 6833.158174 12212.93289 17124.64003 22282.27143 4909.449703 5610.001434 4930.126268 19288.80923 40517.16244 27420.64931 14265.17243 35722.08355 7077.529463 69647.75531 95215.52937 5080.18557 4880.599989 10223.78913 8128.205023 9251.000142 38449.40861 11504.55292 93864.74379 65887.2666 36004.83465 27864.07469 6781.430013 5097.800121 46427.93003 21074.55965 12090.46549 5920.947048 4900.914127 51702.09588 14259.43229 42682.5747
Methyl undec-10-enoate 2.32E+05 102999.198 21555.25147 79159.44741 173811.9951 100605.9421 1030578.349 87759.83651 65777.81571 390401.8984 81112.29801 68119.19768 103764.0992 108502.8342 8638.459814 148453.8178 94915.3795 6388.474244 49036.05517 25339.43182 95185.31081 144179.1798 804202.8742 91696.25375 31785.49793 157111.2986 20773.09309 79317.6132 34559.5867 19557.04893 6718.240459 59717.27061 163188.0207 31975.14315 233362.4036 81435.91965 89757.01149 18631.85059 663969.0371 111316.5013 27592.86262 77759.30614 28289.36604 37310.54644 88669.47775 55411.32036 325936.1437 48599.23045 24676.5937 186774.956
Methyl 8-[(2S,4S,5S,6R)-6-[(1Z,4E)-1,4-heptadien-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-1,3-dioxan-4-yl]octanoate 3.68E+05 203617.574 118600.3806 131253.5833 287913.8239 213086.3171 290258.6895 75251.84982 500678.9958 309472.7867 297466.1624 262199.6515 60710.92722 13778.48218 229174.9292 94239.49283 174023.8447 340070.8856 73861.1762 119876.2888 290027.7243 615025.4273 490264.6602 419311.6284 463516.8003 436665.1824 90947.30881 293248.4821 590258.3541 61343.32494 21637.22614 197956.0937 240520.402 151086.0596 339777.0934 161851.1637 318042.8969 230469.7052 348888.2063 302368.7526 35146.32086 41793.21192 353646.6289 197106.7959 86046.93335 171166.3796 359312.1485 269295.8505 168425.6684 355358.3748
Methyl 15,16-dihydroxytetracosanoate 8.39E+03 4475.545482 9801.474121 4283.57263 16943.7421 36918.57222 14916.71473 4006.014565 29521.83283 5841.898272 10861.52512 14080.36618 8681.127083 3659.075353 4130.813168 6266.661138 5103.654447 22966.55074 3724.336301 4713.576754 6843.57583 9869.707309 25726.97715 5808.042986 8241.50561 10386.01432 3609.146485 31123.28755 20499.74835 3827.485906 3731.520338 4732.325681 8275.585242 5605.925596 25354.9083 7405.325605 84883.63113 5522.12132 14756.89031 10930.05954 3610.013931 3830.619749 7117.058432 13410.33306 3854.362582 4003.526912 4672.977577 36817.71744 6376.405344 51249.3926
MCTR2 1.01E+05 235765.5811 65312.51002 20978.11173 3032.723418 61281.7059 406251.8106 2991.960319 127935.1272 2976.345652 3068.009388 76395.89064 72940.64775 3125.75581 56716.61273 96368.54764 30199.59394 95597.72414 4867.166191 75745.16375 18907.18143 453954.9366 2985.923739 29177.66319 23208.8939 3014.905933 17291.31397 6218.066597 3026.518509 12979.62577 15563.49789 61904.3997 3031.362314 254781.9652 2968.362274 10402.88049 9062.07711 28063.93597 645018.3789 3917.611556 3060.521071 3078.115415 3044.702512 2976.255067 3184.127266 3052.474519 5439.567535 3794.403239 3007.088473 104579.8764
Maxacalcitol 1.64E+04 6164.323733 69839.94094 21454.28959 47867.68563 280695.7331 81463.94343 6420.32072 103367.9027 42432.02655 125740.0558 105197.6134 17404.52264 6485.122381 20849.1262 19992.85216 46260.25196 58552.95632 6297.863428 23655.51271 15329.9219 31977.97191 63577.10272 72359.43412 67926.48958 71766.26737 8762.479358 188948.4794 207513.7235 7947.450486 7552.943953 15299.67152 9944.843208 7813.406832 179824.6479 35734.34814 128541.2992 127876.0883 117689.5411 39650.10631 6165.953932 6755.225622 201670.807 49720.53408 29324.46298 10151.42589 23539.03426 127955.4746 32538.09929 69915.59198
Maslinic acid 3.08E+04 20919.02552 31320.12567 10890.77543 26719.45095 313534.8123 55605.34617 43703.22671 130481.263 26649.05358 189669.7632 68604.61094 229998.1284 10210.97408 15998.5626 13071.74374 34728.43863 27698.5705 10676.19183 30727.23736 32577.92914 61888.69687 36465.32837 52257.64249 55335.42134 125919.7628 13465.77366 144664.5267 152657.9017 10259.52259 35054.46966 13108.45524 22756.68385 25481.88166 171463.5694 76709.41469 89264.74707 178535.8376 117633.0348 280884.6169 11841.31449 11786.57527 89036.90928 47736.76702 36779.09377 13477.33344 26238.78158 115073.9376 70083.22956 59750.91589
lysophosphatidylserine 1.51E+04 6710.697574 13221.14752 5130.613763 5250.655268 7929.659623 9383.564328 8858.955496 15302.35274 28180.96086 7775.996973 11231.38824 7293.509014 12302.23378 7037.750068 33824.99026 5919.503563 16379.78295 11027.02828 275841.8701 6539.346066 14104.59501 11184.14728 9067.475909 11912.00292 15958.48079 5539.430536 22672.81627 11769.32241 8518.417228 11523.77903 12825.18757 4973.75888 7098.831585 15041.33111 8976.258913 10770.67886 10051.98484 12455.96738 14897.52762 11305.66547 16869.38642 11493.18742 13863.90089 8552.646736 7399.680504 7681.296631 12129.48141 12484.20345 20996.9543
LPI(20:4) 8.14E+04 40149.36365 81339.2668 42914.11201 76742.28406 422642.0964 173716.3056 41661.77176 243034.2649 56680.52723 230286.5584 244151.9068 39330.03714 4078.376735 98348.76576 35684.8753 60017.28915 159624.1168 23898.69754 37061.35394 40497.86086 112372.2795 161010.3011 78185.01748 198581.8713 231674.2056 11444.3348 389358.0322 409839.4224 11440.56206 6415.021449 29251.68111 61727.90411 54490.05717 145170.8974 60354.85801 185155.2118 174303.2107 278963.7461 173869.0315 5979.47775 20290.94235 360291.8419 69813.0281 49319.12249 38088.43624 85414.61128 177768.1447 96404.189 297290.4571
LPI(18:2) 3.42E+04 20986.39728 67649.20527 19664.17994 25506.70403 239798.2787 125921.622 22693.8988 134011.1098 50128.68243 72798.80691 215241.0792 26904.23673 3506.031542 70450.18073 16708.21414 51735.98699 87724.41211 10127.12991 26554.11796 17522.79488 68023.23307 72919.91157 26018.30957 138488.4943 118830.9061 7136.102159 323699.714 119493.4507 12185.59274 5465.413538 16038.22011 23879.30877 21632.92334 123731.934 29842.42626 104633.6015 82704.03249 195943.5699 102744.7199 3291.31454 16136.8208 110300.8531 72840.24031 46502.48615 30244.44629 61308.71641 106853.2726 89684.8815 135113.3938
LPI(18:0) 1.60E+05 75943.4567 115639.1028 46543.16741 84047.8525 211055.5651 119486.8812 72014.57578 239784.0824 155132.1487 233095.9654 211048.7608 47247.65729 10635.13385 189424.6131 39605.03388 157789.2553 177172.8517 42064.27885 215916.1254 99286.5985 312367.8076 329135.5745 101001.2792 143225.1173 343721.297 35840.55137 340552.9533 319221.3741 19658.99435 8884.025587 61593.05996 99977.30065 94797.33414 186583.7031 135815.5402 295022.9442 212781.7543 236875.1604 330263.4491 18230.46842 54775.58295 184239.2253 283101.3282 87587.35662 60339.14783 188805.5008 305333.7656 194324.846 251011.7035
LPE(22:6) 3.75E+05 81393.84692 274135.3072 169477.3007 153888.7161 391448.3083 569984.5851 90968.97205 501149.1884 148781.2242 424133.2827 572033.4483 159848.1176 19727.65426 387327.4481 147665.2975 154896.7746 565303.615 122949.0677 99504.02328 142769.9975 583350.5567 349891.8849 407266.1155 367610.8013 354429.7639 36741.40984 505059.9062 640053.4023 40049.62579 21788.48967 107224.9361 283559.9465 89174.71863 734468.6822 289492.1602 552990.2294 330580.9691 619928.4265 797480.9594 43417.89468 62173.96591 584050.9641 499559.8059 240279.009 74688.92949 297091.2427 548912.4313 328297.8755 1584651.419
LPE(20:4) 3.46E+05 226025.9842 382902.8497 195647.2411 321898.7457 946833.6781 1015848.835 218352.5069 732253.0717 155155.5927 670478.8619 646422.8534 244975.7296 49167.22753 353504.5048 147863.2185 138471.8504 946086.5039 132061.7114 170500.7935 194094.7147 761411.0125 767048.9842 701256.1542 540374.7699 897301.3709 61268.63321 678568.2636 1182472.969 42986.1659 25758.12812 234762.3721 303079.9194 257457.4579 1128889.492 428637.9508 1287701.507 663443.9374 1139810.969 1268864.441 51856.08699 49152.67979 1102724.915 404179.0342 148081.4169 164387.9453 452057.6152 911947.011 347185.6796 2263061.47
LPE(20:3) 2.06E+04 14378.59449 42100.80066 7084.392721 35024.41909 60057.12165 99366.55095 21623.17369 71653.08495 19849.50184 56168.8979 78102.62154 24373.29513 6520.857579 50806.13345 6166.02267 6476.476689 85648.00625 11563.7065 18579.35477 18344.20238 64722.73528 151677.3495 59618.42261 70831.377 72358.95315 5769.647581 56773.44358 79242.04642 5735.061788 4482.054107 51934.16999 24402.45181 27797.11354 134305.3326 34766.15262 311015.3099 82182.74135 242639.8905 140736.0354 4656.304676 10630.64628 108516.4122 103231.8357 11618.13169 47417.35946 101389.7121 125137.6788 47773.41351 352961.1902
LPE(18:2) 4.76E+05 447762.9913 1222568.037 309417.7413 543298.9459 1839687.216 2261039.495 360771.7546 959137.7379 356479.6489 629551.6094 1565189.599 539067.6763 97078.21412 734958.1153 236655.4364 232160.1985 1622232.402 205609.3855 341618.9549 323798.8855 1629000.47 1283761.768 975197.1207 1516047.84 1175280.427 83210.90618 1557908.917 1067742.264 88359.40598 53181.26978 506453.6935 398996.6396 428955.344 2344723.793 886934.7322 2698447.82 1104745.094 3437347.973 1478094.05 69028.99071 163838.0649 1236725.651 1178914.468 348946.525 370858.1518 778687.7086 2635007.945 517658.9108 3524066.34
LPE(18:1) 3.52E+05 544144.7618 943446.5232 242599.7057 405032.5407 1445643.009 1434032.183 346486.4169 852720.9209 482138.0904 724068.6946 1216487.493 597873.1076 113284.3928 929848.6076 191066.6755 255533.438 1246613.53 234347.0705 499563.827 421603.0179 2229716.481 1166354.082 997855.6367 1130789.803 1294727.88 242288.0631 1181240.634 950153.506 138639.4542 80248.38602 508369.3938 317932.6253 600062.2954 1236574.451 1194738.051 1601201.205 1206017.222 2360506.677 1647806.52 109715.3571 233389.8979 1156576.769 1193839.924 332963.0593 388606.8487 1047687.003 1908598.849 523413.6205 1938826.484
LPE(16:0) 8.11E+05 477156.8315 764277.0396 366861.4655 360459.3004 962577.0783 859246.5926 347910.0164 972495.5837 328367.1952 1049686.088 1231710.938 225604.5785 70303.0147 995769.6565 216247.8879 372166.3534 1402104.176 238237.2433 573307.1991 756545.0361 1404534.534 1178929.55 924052.0874 965840.1752 1299785.467 196801.7618 794712.0603 1462118.851 114574.4069 37704.84856 371884.7695 667560.0106 506833.9644 1882688.556 859499.2714 1640619.134 1301352.466 1812755.894 1688618.061 106537.6254 223512.4294 1275526.731 2043103.474 439430.1009 387356.301 853973.6081 1676196.987 934990.3856 2568055.767
LPC(17:1) 3.61E+05 345028.3285 391984.2542 253458.016 345465.8781 929960.1697 671377.1095 262122.578 685740.9501 215362.7759 671411.1989 936670.9565 317741.5255 25574.77585 699685.5645 195818.4352 195400.5748 997394.2726 178824.7126 415509.1207 357767.1491 1775607.865 991199.0914 737519.324 831157.367 916630.6047 90589.62771 1049221.236 1093345.513 71259.74377 41430.45012 281320.2791 258773.866 397179.0079 920038.1494 947842.02 1260334.829 811656.0302 1591520.081 1307363.125 54094.80308 118707.0254 1040271.163 855342.0683 277401.462 220281.2326 746990.6122 1328867.897 340258.9721 1415984.924
LPC(17:0) 2.26E+06 1585622.335 1714193.647 951047.4933 1057644.284 1922858.53 1654515.213 1039815.414 1535475.954 1570824.377 2512422.844 2191883.311 839159.4805 126465.1785 1965393.013 466680.808 1265956.339 1754714.01 1000626.894 1356310.911 1470933.962 4517853 2509464.691 2016685.477 1733078.303 2608388.732 566613.1362 2320987.202 3306387.624 268028.926 119898.06 1125419.637 1533929.271 1634976.519 2149644.415 2420765.845 2768285.535 3406166.136 3364443.858 2307901.064 225305.1544 518299.3605 2815830.45 3050154.213 1409096.65 1319377.711 1966741.735 3592494.342 1714319.807 2803185.62
LPC(16:0) 4.90E+04 43442.46319 39902.07892 12818.86909 14253.76761 67124.5575 36700.02747 22276.70171 80451.59567 32253.48523 94356.19342 86287.26316 8827.682839 4830.828644 69065.2499 9034.902419 13533.92418 64922.58219 20278.68282 42173.51242 50511.6365 120384.7602 132095.6777 62246.96748 47710.54825 100383.4425 8472.22193 66034.78017 172841.4369 3933.022279 4004.036283 17965.12464 27271.16179 40664.43321 74399.66291 54094.59197 101729.2659 100638.7305 129399.03 64353.03648 3947.895776 10761.36228 101662.5595 93340.76534 17870.18284 16719.39897 66435.39513 106004.4499 34288.11286 125795.1792
LPC(15:0) 2.65E+06 2173387.426 2329538.388 1374932.572 1718996.908 5118179.645 2844749.395 1444678.286 4113633.077 1464287.248 4961435.34 5132849.727 1073977.06 184031.2195 4171068.362 1087086.868 1640816.817 4641217.571 1230287.827 2492352.554 2526987.859 8026896.429 6046746.682 4731979.277 4114446.508 6011547.413 674973.5312 5718926.5 7947093.601 387412.2591 192359.8221 1434194.13 2261507.966 2729005.08 5704406.386 4264513.131 7290366.416 5924396.083 7345376.189 7071075.171 411565.9734 826813.3288 5958811.011 5559322.502 1542904.57 1512871.842 4091470.43 7785456.368 2542588.548 7923731.831
LPA(18:2) 1.33E+05 44612.51137 167865.0127 53118.91812 109020.8757 335509.4208 270353.118 58494.78002 206366.5371 49021.31696 88081.22214 223787.0834 30614.37983 15519.58666 321466.9645 52646.78069 98030.18064 396561.0686 81501.19994 51197.57374 128226.0717 233126.2674 277629.1914 179273.0482 425166.7365 399784.8991 25952.37278 425319.9375 290593.5849 33100.46705 21828.92702 85860.27219 179643.33 68723.38375 384239.403 125649.6832 390966.2214 206982.508 515758.7271 237853.3376 10627.25148 18877.06667 159192.1861 183338.8515 89919.65168 67383.22731 222153.2432 381586.8145 123174.6723 480381.3413
Linolenelaidic acid 9.58E+06 4703242.933 2456414.899 2472637.351 9294496.563 9385012.834 19135431.66 1690902.066 15643111.08 8535333.841 6954885.685 9469431.977 2121235.579 647790.4417 3781745.64 3942479.725 6240120.207 7158637.505 2478719.845 4441586.629 6403990.568 18583864.8 12880156.74 11354194.27 16494013.46 11278712.92 2721434.506 12029759.62 21443026.25 2505062.151 1216192.882 4007062.091 8336798.031 3942603.11 14787336.5 4651967.649 13511026.98 8971884.399 15129302.01 11913049.8 1522823.816 1441127.692 10241542.09 5141714.201 3719497.865 4270076.508 5762078.943 8553251.759 6732237.717 24695637.93
Lexacalcitol 2.00E+04 9840.108259 7137.283579 7094.180131 17404.8762 178669.2927 54843.77465 8066.739074 52406.88658 17359.0198 47683.74569 44154.07612 22191.80957 7822.380187 13833.92109 8514.848671 12129.00351 18042.66828 6954.401772 9395.288477 16088.31886 40313.89376 30522.62748 24500.08073 36045.13279 30848.38597 6775.812871 106379.9002 71116.04449 6682.986142 6470.821506 8538.762304 14823.55554 10648.09115 66553.39569 24871.03123 88051.21516 65984.86012 62556.40295 20840.89278 6411.760797 11719.5355 48222.3308 30678.99179 24417.93506 8779.047158 17091.7713 51261.58993 25992.87113 51203.85942
Leukotriene B4 4.47E+05 148801.4473 39885.21696 53167.45703 370507.5956 105173.4227 460005.8844 60298.18639 428838.7689 140993.77 205628.9053 245109.4877 34793.33043 13009.46051 139722.8021 124118.0778 71601.03977 218903.479 77969.07567 137404.3698 261222.3072 369537.9184 488748.3756 307869.9862 414408.6329 389575.146 68598.35061 131732.7622 492382.8688 89369.31458 19308.94992 133591.9007 238085.3555 115852.4675 264398.4258 69892.81857 283975.6476 170512.2868 342367.9406 295014.069 38266.24219 27704.22115 218881.9845 116780.1174 57639.52996 158432.5217 266864.8726 248892.9989 86404.41417 545901.7907
L-(+)-Isoleucine 1.48E+06 828149.5067 2098599.09 813134.6769 1335222.149 1776145.236 1546384.638 969035.6573 2093760.718 1158860.467 1456379.379 1480030.394 713424.9244 463401.022 1762309.409 578951.4577 1113916.833 1303299.873 805718.1045 872632.7628 1034132.478 1181319.272 1427123.011 890369.1607 1177124.137 1539722.531 765758.5675 2132564.384 1978974.727 503906.4093 498716.8242 1151784.954 1359867.431 1161103.999 1549961.853 1051146.438 2367644.995 1194465.052 1729921.453 1292992.673 532083.9126 764174.9999 1608531.229 1241030.418 1008083.184 779297.4177 1468351.484 1601302.553 724924.0475 1829546.803
KOdiA-PC 9.22E+04 76400.17744 110660.3732 58454.19005 82808.72035 257136.9199 160019.3855 64164.13606 185259.6182 55554.58097 179067.8263 226169.3854 71187.74261 5341.990908 213057.4206 41145.23787 44777.05518 307959.7125 54883.91237 72754.68107 84755.87669 480954.252 269060.5891 188460.857 222589.114 230325.3188 19129.01378 339114.9661 293699.8949 15471.7986 5320.782278 75311.5671 48075.37191 98328.49321 242993.4053 216491.9146 315168.4763 234648.6992 364954.5156 352288.8913 10068.66762 28222.23849 267384.0544 231570.718 65154.99077 59137.40289 222650.7921 372757.2298 96839.34085 316584.2728
Juniperic acid 4.46E+05 194585.7118 309689.6917 197778.8682 368147.4067 628626.5953 484406.625 179344.1594 630114.7525 214374.3472 414109.3117 544970.4703 171818.0962 75540.19333 413676.9646 185285.7582 296069.1195 418846.8446 141707.4641 347995.7032 287411.9413 639286.4356 549442.9509 298697.9963 394979.2323 678963.2876 149893.1322 384311.8588 601658.9167 132363.3777 91555.03672 194705.0497 252557.1515 252254.026 509165.9264 382541.9713 706834.2034 405319.9713 684496.24 401886.7375 87033.51005 116937.7176 294170.6685 347384.7878 196292.3344 206707.663 549603.1311 382037.4714 269170.2208 644750.8552
Itaconic acid 2.66E+05 160372.0345 267353.1577 187709.3087 195055.1471 309184.4134 216209.8313 181070.911 317045.2395 146023.3409 202789.2918 225536.9763 118011.6714 55560.51653 253714.1556 176732.5056 192385.1336 251323.2932 126156.0599 273966.9767 114497.8853 328175.3066 192466.9172 236987.8545 342128.6105 308444.4514 132523.1691 308945.5996 274238.8481 115256.3034 87325.02124 139326.0711 201444.6851 172413.7029 270497.1635 177663.1422 314746.3467 168253.0616 348112.5382 255623.8386 127465.4576 108241.6076 272699.3823 194541.9552 127129.0692 216338.1965 223449.611 231651.7305 175606.5166 524907.3476
Isobutyl furfurylacetate 4.86E+05 19195.22419 88823.78053 76712.04982 43069.05065 63364.44975 183738.321 27575.02184 176713.0458 336293.7599 164238.7302 183235.0798 355846.3129 10628.96642 984135.216 101738.5044 1227421.922 245176.7063 237055.4162 81112.07908 78623.87916 138540.542 89879.03774 49477.02567 124257.1561 54994.99615 53496.0389 567117.1672 83950.78639 26819.01969 134828.6805 19631.40198 380583.4918 17754.46038 33301.85265 78774.24762 28882.8136 24726.46398 148925.7843 47557.63423 10595.74946 389165.828 149195.1783 66963.3041 481192.713 36790.04452 65661.28927 18270.88615 42203.44766 167726.757
Irilone 2.05E+04 16584.97208 26485.02854 8040.270403 19566.97422 30890.61328 20169.58417 12703.83173 27960.6195 20915.43192 22342.70103 28386.28864 11801.97818 5070.876168 29789.77633 10847.57509 19197.4966 22877.21913 7975.426107 9915.828933 19709.39984 7814703.622 25872.64106 20611.56298 25323.69256 23922.77118 13975.33356 27382.75792 29570.40858 12462.84858 6761.854541 20502.34492 17547.64744 16743.96626 26198.42022 14731.14319 27617.88274 24328.93279 19511.0196 22572.2171 8298.097254 13126.42373 18105.90115 25851.63745 16427.29003 15282.85306 23732.3392 22437.62749 19101.28001 27880.13539
illudin S 1.25E+05 77915.77061 204806.8562 44726.68391 117499.3033 519490.0124 98687.5987 71657.90294 367413.0006 69016.45182 249885.8939 417492.6477 97477.23933 8529.907624 196959.368 77538.63658 58742.43197 120089.0618 97923.11218 106420.4073 36281.58744 61915.01474 88303.03467 119196.1616 137987.3732 334672.9556 43598.75438 187164.6383 321267.6028 114803.6962 18228.81188 75158.31238 91223.98205 62423.01183 240588.0159 90186.90162 204426.7834 231201.153 207669.0122 119127.4839 26046.04631 26460.1147 232960.0892 139732.3056 58433.46943 45328.83405 148659.798 192990.2039 134354.6187 270324.0357
Icosa-5,8,11,14-tetraenoic acid 5.72E+05 343993.1487 288074.7923 304593.6041 440319.7539 627234.8709 640885.3511 317328.3488 979509.9156 325051.9712 1285574.085 707933.6409 210722.2242 39632.80737 509508.0647 103132.579 412973.8014 477916.1139 130352.1227 235249.3837 340762.4229 661171.1508 729454.1109 456390.186 430615.4226 772581.2806 245742.5559 755333.9271 1619130.411 137627.9204 76250.33335 184015.0518 419192.6206 380925.1419 514395.3414 448743.5868 525470.2651 1030498.485 426080.3938 694201.0826 93763.31738 106900.8456 824054.6993 491441.8763 287461.3209 150277.0254 656247.1086 582869.2041 292684.887 580963.6986
Hydroxyneurosporene 1.45E+06 1428411.388 4014502.225 1458955.391 2042067.413 9261119.441 3798509.767 1274474.044 2610897.835 2998083.992 5733918.777 4567222.828 1187817.395 352473.7211 1125661.621 845522.1103 2716539.839 2072085.743 508403.4689 998853.0253 2867234.248 4448075.836 4363586.255 4206563.397 4113010.575 3756872.264 727390.5228 7001597.735 5533384.51 570549.7308 163416.0319 1471301.018 1802674.149 2201970.493 9302195.392 4822123.068 6277251.798 9578908.535 7527786.48 5090707.226 388311.1518 1296156.128 5498353.005 6700378.534 3256363.754 1872762.769 1549533.342 6193793.117 4548037.088 4313045.355
Hexacosanedioic acid 1.42E+05 70709.06925 106096.9072 46222.34487 156359.6118 1191928.154 192176.6071 75951.00112 456170.8148 55316.44477 189795.1629 254477.2473 173896.3695 18162.55255 33886.0581 105986.8148 105110.3928 173903.301 46478.97578 81903.45745 42378.69297 152727.9287 453866.3739 130857.3469 300126.4365 188211.9801 28854.19 560467.6427 461202.9959 14207.09078 24081.91526 104186.9881 57446.69337 74500.02083 241475.4803 162026.8833 772617.1116 492926.6005 625690.9423 182313.4676 28164.76546 49522.62733 172842.0603 217308.5199 155658.5044 40274.17845 64885.12995 524636.2509 113654.0972 699828.5067
Hex2Cer(d34:1) 1.56E+08 96825155.8 54364761.93 72278323.4 134479369.8 197871970.7 167747593.8 97841722.66 234014411.3 132354152.6 196711005.4 204703403.1 70941762.59 23385272.8 159447346.1 43480140.49 114847760 93991544.65 55543339.66 76046754.64 76936586.59 209721527.3 239085922 55413475.56 43354084.49 64346749.56 75050546.6 125749474.2 216534359.6 37411497.8 19767880.97 102892058.5 74621468.63 116918187.3 177214622.9 158584414.1 94668236.77 75079648.04 204751829.7 189137361.9 33145930.44 57849505.91 53917779.86 217359757.7 45308237.11 114835153.1 215083235.3 192593942.9 108873024.4 227248147
Hex1Cer(d42:2) 1.84E+07 8912726.426 13303977.22 8201053.041 8058480.343 24031703.38 15080763.88 7656946.486 16407432.16 14191991.99 14003827.4 16865341.32 6614703.691 1585373.712 16253614.85 6002194.422 15862823.92 16504672.97 5510454.73 10341606.15 12808904.54 18815693.46 33416220.48 15807738.75 15590348.98 15871235.78 4903445.374 18516870.67 18060401.58 4377590.594 1710276.78 6941599.272 14106422.66 9441025.863 18901260.36 14540459.79 13675922.72 18440821.88 28084091.24 14022945.73 2761837.191 4776449.994 17857559.43 19697600.54 7608739.608 4996611.388 15259256.68 20521185.25 11278409.73 19200773.87
Hex1Cer(d34:1) 1.65E+06 755532.7931 643405.2647 597023.0236 848228.3852 2444786.995 1363758.517 529703.6598 2244722.41 848196.5898 2471986.31 2253774.407 367821.4617 57470.43102 1623971.647 338169.2981 1420444.261 1225035.575 403506.4738 435173.1966 871983.3609 2971541.304 2328753.554 933411.1103 1324015.075 1877372.048 514292.0544 1328487.686 3645864.65 197166.9302 70043.96577 464235.6624 982147.6504 910863.4576 1422980.812 1456431.651 2154302.287 1869497.917 1650469.559 820703.2693 169983.6742 220336.6037 1500651.155 2820416.118 542755.7085 512647.6088 1557171.872 1740446.712 1262011.952 1853319.855
Heptacosanedioic acid 4.69E+04 20891.7281 24615.18006 11756.23167 32854.95773 58562.25045 47656.39084 9823.984454 59999.79285 32666.9993 31253.66116 30812.47216 23101.79393 11894.40554 23126.03906 13823.07371 16718.14743 36222.22701 9607.343711 18145.9452 37987.78517 102456.3176 62826.67159 50324.80889 66527.14346 71157.15012 10454.61515 70689.86025 85139.81007 9061.021062 6675.591598 17910.51025 25685.16243 17656.39898 114377.9101 45699.94765 66819.63169 28434.86978 90520.30116 36666.36528 6634.84916 7804.843726 36957.81931 22120.08052 27352.53724 18693.43571 40263.55907 50805.84126 42468.14358 71584.03796
Hecogenin 1.04E+05 28784.06153 75511.84469 43023.95973 78031.30942 192470.4139 145352.8022 22855.54301 212001.8208 35936.45969 98995.54921 162652.8053 25158.04796 5079.534547 136636.8825 34423.0745 56134.45468 431639.2992 23086.87569 29560.28122 33860.53606 62361.28753 88927.66374 38095.73251 87804.18729 100223.6156 11362.2464 129787.1273 111798.7194 5359.341056 4266.93563 26542.05299 68935.90521 26697.84896 186398.2095 59920.63266 203508.255 74682.39171 142795.3712 83341.54917 7769.538537 9304.311228 126439.4831 68360.82465 50138.09732 20956.10424 111630.6945 168454.0145 55527.38757 614658.1413
GPP 3.75E+07 28180789.05 80124225.01 21309308.18 59564562.04 105003056.8 77252267.08 36583879.53 72225296.17 54781848.96 95266686.73 88057749.54 13931578.25 3526958.455 68284321.6 20562537.56 56887715.59 64205458.29 16116964 14158484.34 13449906.91 58668083.89 54331974.53 32270532.67 33104312.97 67710185.37 48122533.38 40688955.86 43022417.02 19053907.35 2430077.116 31122274.34 46201887.58 54218526.4 67167516.74 37808226 151240478.6 63159924.13 66567017.44 28676602.21 4654577.164 8244337.835 52377135.02 91531638.13 38240431.05 43240746.79 59206498.41 57292041.12 22639022.76 97684061.28
Glycoursodeoxycholic acid 3-sulfate 8.26E+04 35557.02313 178942.3019 34479.17526 59703.38696 260822.6736 75519.42502 32647.03404 215076.1395 48715.41709 206673.3033 239674.6268 66624.91067 4769.961948 168048.9478 35601.84576 392107.2232 51535.94209 68132.82322 46144.72505 15461.04674 32539.89055 46300.64342 28807.33492 110488.7054 213152.695 29730.08653 138929.7565 222856.3712 56447.00852 10636.58396 32269.55985 66170.50736 31541.16129 201492.4587 26316.00832 78386.25952 93521.88378 109396.8564 57820.60986 16234.19996 13716.27235 192386.9545 50126.34738 32018.21641 20818.73391 131407.3925 105694.4009 109696.3933 140725.0909
Glycocholic acid 3.24E+04 17647.63754 453615.57 27791.12861 65776.08818 112257.9778 222347.6643 7196.663645 8651.066433 39164.35925 84704.52639 90826.15015 18078.03192 3642.769701 36113.81388 3614.256802 213576.4777 14490.75632 37699.98201 12527.60069 3539.025165 47416.70228 24414.71937 27897.00733 189015.4927 92214.16181 3475.316176 490460.852 118998.8803 29738.37132 8158.923001 57234.90164 53625.16593 17072.9698 388156.5175 105468.2138 251190.5618 37850.63544 215439.8657 38323.40261 3576.145634 51547.73113 61524.84307 28522.53705 4562.165756 11458.63845 14137.23481 24397.75496 226560.1149 25152.41247
Glycochenodeoxycholic acid 1.40E+05 56621.16046 2040081.555 160984.503 202734.0952 544858.0948 709417.0678 41575.42697 61789.08758 165422.1438 457012.5563 448390.3198 162211.3561 13372.53337 239753.7119 16304.6273 486206.828 88414.10484 164109.8336 151931.4829 52416.19949 344365.9626 141443.276 143733.248 617312.0227 140777.8979 9456.021515 1884295.113 988472.3221 113575.5278 19447.3059 169913.0298 70935.03332 77703.22587 2266280.597 440526.0816 1238398.233 295192.8474 1020667.05 122750.7219 3791.123633 249712.5872 414395.5375 97543.17974 65818.40228 55106.0042 47887.23839 269522.3897 766195.0898 344978.1128
Glucosylceramide (d18:1/9Z-18:1) 2.67E+05 271148.8703 248546.5954 166469.409 251419.9416 260249.8856 333880.0174 144634.9147 383926.7696 203549.1538 311403.4425 254080.4915 119227.1036 35342.42039 330455.952 148734.2756 284182.3214 222314.9316 93615.61047 200366.8193 259525.0763 253232.7542 282062.433 242603.9262 273021.3819 234291.4531 152733.914 292609.0085 263340.1459 90037.45889 37331.38502 149907.6232 241666.668 307500.4699 438260.6183 202163.2749 342156.9846 337499.8558 314495.8524 305439.6764 86281.47777 89680.47131 232543.4058 288004.1032 207916.153 143186.1176 364150.1706 339593.8759 311235.8932 254721.7495
Glepidotin C 6.94E+03 5700.689877 7852.057795 5983.306215 10507.11548 8926.968763 3133.911144 6695.913786 8352.733655 6699.699652 13314.08999 7468.139956 8497.549979 2620.837402 9255.087778 8363.285859 10499.2833 6655.930628 3898.154042 2678.33954 2736.160134 10400.14121 9564.523696 7387.725213 2804.47289 6503.674544 6107.739556 8874.46408 9377.10224 18456.26997 3201.813669 9640.414119 6911.165029 2703.572632 2920.768594 5689.138218 10815.17072 6768.969737 4685.594856 8378.973105 4308.421438 7964.588994 8119.972109 3523.573644 640169.4354 7050.755789 2895.609859 7979.495805 5750.428668 20715.70992
gitogenin 3.84E+04 10016.49054 71131.54099 16136.76565 62998.52373 82916.6563 82028.4616 4887.859007 73760.8317 7821.004028 23454.00732 79426.10584 5222.755165 5165.789408 46758.6865 11146.07409 44316.07372 28376.71468 5206.67951 9083.774526 15388.33759 28639.61417 59715.09293 25175.67219 42722.66715 73203.88313 5281.933986 59364.73294 45507.41005 6831.05715 5177.784515 14784.19716 25365.54399 11021.35345 103848.0214 24117.84161 127869.7436 47330.97723 73292.09365 19246.27581 4891.006827 6157.429877 32841.7214 42920.34887 13106.87211 12054.25168 57435.00306 66546.81103 42654.52306 71019.15636
Ginkgoic acid 1.84E+04 284867.1648 10854.0344 4119.22094 3311.733281 4661.619165 14933.39375 3221.816658 42979.49907 3177.882544 3387.978081 27026.1766 186343.8726 3184.961569 60152.93185 7480.838441 3275.93481 32158.36674 3215.962544 31902.07702 5572.396813 833367.7302 3376.419906 4714.181043 3447.655762 3614.005121 3178.306332 3534.683914 4192.365115 3102.313045 27425.41914 5147.774653 3287.370356 205060.7673 3560.663253 6661.318239 3729.388888 3665.171179 839070.2091 3784.188483 3158.424845 3157.302521 3618.900971 3388.263033 3332.623295 3243.843995 12615.23883 3669.908349 3196.846442 13000.32855
GIBBERELLIN A8-CATABOLITE 3.48E+03 3488.459846 3390.291186 3442.416991 3453.686599 3458.416504 3441.561972 3574.592496 3477.813725 3395.240557 3490.943421 3676.656978 3609.179241 3676.497279 3488.610395 3652.387372 3466.44395 3465.645011 3568.913655 3601.007358 3378.347943 3431.635592 3626.147465 3486.926828 3361.89708 3557.416676 3481.201872 3550.840012 3508.876885 12391.00999 3666.690004 3429.288195 3571.443017 3491.294476 3435.161163 3408.249008 3466.242014 3646.018917 3511.019546 7383.848836 3583.756135 5982.932677 3492.170022 3516.042148 321712.2789 3461.370254 3541.338527 3508.221604 3432.926327 10348.63679
gibberellin A12 1.59E+04 6513.119371 49621.6998 22411.41933 40899.4315 185917.8855 34997.36022 10240.49304 119189.6677 17307.86391 28589.27041 56612.98857 24721.20088 15862.40628 106927.0883 11417.35485 39515.76256 78613.07769 5928.157149 18703.16043 35405.71628 32066.25232 77038.12246 19804.25668 39935.21142 53891.06282 8692.466691 89156.62313 63853.82806 9388.955481 17732.93496 18180.1544 18812.80428 7337.828134 85488.14358 39538.71612 125134.0355 89988.78553 52151.0404 51004.63782 16178.82619 13172.71334 23799.90782 41196.73546 15912.63809 6247.893312 34603.90588 41573.73292 39600.73959 91912.3533
Geranylfarnesyl pyrophosphate 2.84E+05 742163.4796 237202.6406 112638.8289 3299.292394 273287.0009 1301245.787 3405.563253 536240.17 3227.522297 3274.670546 318011.028 282887.7102 6888.864959 178646.342 281758.4359 119953.0211 401201.7145 37345.51107 411544.4849 74102.11736 1737431.349 3270.197427 116540.2935 134929.3016 3212.020649 92970.73235 11328.58638 3289.888331 46701.25524 88476.35059 258335.0984 3299.497651 760041.7131 3259.282119 44331.52964 3200.639863 107433.9227 1919317.212 23091.24752 3923.522857 3227.990149 4575.5996 3166.930951 3277.306475 3380.125276 17361.24726 18179.99009 3209.791841 251684.9745
Geranyl heptanoate 1.05E+05 57777.3791 28123.51891 30561.6072 96387.81507 49895.13731 159480.8805 11885.1331 94566.69991 70715.25808 85067.26938 55492.33172 13409.90748 5177.056368 43538.94283 27908.292 37507.8684 72911.64667 33933.84374 45002.29452 74682.46057 129034.0265 124270.0549 88784.62579 134184.4101 104985.7598 24444.64691 94654.7938 158065.0221 19580.18022 19841.3869 19308.59367 86841.72716 27653.45892 126509.1598 49475.22378 70726.81824 46098.29538 164966.5058 115418.4877 19177.06389 11835.80997 104164.4615 47372.85938 39525.32675 36309.41289 50666.27689 63375.79718 56687.75337 196076.6968
GD3(d34:1) 1.27E+06 398214.9076 797734.5267 411353.2502 673103.9776 1318628.94 1050783.669 343821.4156 1789654.52 596834.7829 887725.7875 1388405.75 256668.3876 45593.23648 1109026.398 191290.8722 604499.5846 881279.7862 312479.0547 219707.0376 828740.4748 1428965.32 1520740.971 637521.5867 1074030.56 1381237.963 289970.3526 808122.8231 1141233.516 171298.1755 39819.47202 350306.8452 924824.2651 502871.6342 1356775.668 914825.3738 1377646.858 993917.1474 1601657.734 830573.2467 129918.2299 158335.9096 589776.952 1345554.177 472816.4739 347159.005 1065584.989 1130633.608 686712.1001 1242606.266
GD1a-ganglioside 2.86E+05 153568.731 386557.1696 146593.0952 234542.8302 541086.0571 319133.4853 98691.69185 802334.5296 317698.2019 286233.063 394853.9049 92741.73789 5616.120347 474789.2965 78766.54709 202603.8168 237776.0567 51522.80806 92729.36347 426933.7876 672599.8467 619350.5178 228402.3887 309693.6267 466635.3852 127478.418 443345.0657 396775.7118 43115.63523 9826.666942 93815.9833 188434.2673 189681.4185 713083.9351 399362.2021 480421.4976 406567.7046 391830.7501 284251.3825 57096.93572 78723.80428 141163.5545 390863.3275 176395.5511 88652.33351 385003.9617 597787.1457 257087.2616 251945.9235
Formebolone 4.01E+03 3745.122368 3845.322498 3735.474747 3101.312055 1689860.892 12427.49833 5190.045543 2985.866341 3047.961619 3084.025769 12296.51938 8623.170601 14530.25199 5294.413355 11151.67618 3006.754069 3097.852059 3116.874372 4905.01742 3000.294033 3061.791943 5430.933181 530380.4115 3025.334605 5244.935974 4151.19218 14561.45031 3369.905331 8773.002981 8643.626452 59081.34652 3825.148431 3025.244545 4198.639961 3848.019925 2957.033744 453684.694 3124.582509 7166.176622 3043.454727 4848.432445 3107.968284 2943.936843 3775.794128 45033.53705 6223.020751 3066.368378 9858.896089 6727.535879
FA(18:2) 1.18E+08 56405209.09 30252589.04 33992743.79 101089358.5 86953726.12 215797764 18647674.55 174589602.2 98231532.18 93353773.35 93615746.87 24759482.16 5336762.234 56604731.76 42182302.67 69672981.73 102849982.6 27075114.15 49259555.45 90927290.77 256319865.6 152207299.4 138439497.9 219117124.6 180667662.5 22736319.22 143028711.1 279287448.2 23227761.91 10382623.37 43284041.68 79834440.48 45356903.2 146494328.4 51960107.65 107384447.8 98402218.45 193258498.8 105155410 12031829.37 12801113.2 118159501.3 51069244.32 29997061.14 42625362.46 92710392.53 92540980.82 15217969.16 239412663.9
Etretinate 1.72E+05 120183.2641 90778.83023 47988.16192 135219.9323 141838.8607 214624.297 42194.24064 331304.1979 216897.2319 215609.3035 152786.2594 27454.10489 14910.45777 120730.2678 36339.49026 98523.75696 112408.4055 37510.90359 48280.17136 137197.6215 344558.7712 289835.3412 212938.0925 177434.2612 166455.6104 45007.11747 145007.5138 342033.9585 34574.00476 24465.95049 84440.17572 81731.42536 118492.9948 152634.6693 79777.81731 218640.1334 150536.7041 121494.2111 166104.8338 25684.16147 36788.86132 157115.5532 209470.7367 42813.9031 101751.7349 178899.4242 162815.7934 103122.0402 137912.746
Ethyl bromo(iodo)acetate 1.25E+07 12459580.67 10772449.17 5890150.604 12259939.62 13935935.46 11188635.51 10292201.94 12244268.21 12621551.32 8257720.81 12480374.47 11817536.17 4065809.41 15232552.86 7752293.928 11357856.09 12303460.68 8368841.099 10091851.86 17408695.97 14226418.8 18129607.05 17444755.91 14842357.48 13760814.12 7837825.688 14484285.61 12906546.6 8688034.086 8432435.082 12906811.49 13182598.94 8772952.083 10299768.68 10357049.54 11164742.17 11659134.72 11451738.28 16016864.41 8911299.67 11647571.53 7465637.92 10155449.58 13973779.19 8986053.422 14124673.97 13513086.69 14983396.81 10305477.19
ergosteryl oleate 1.49E+05 107232.8447 133532.6978 85208.62236 76534.01376 302990.5145 172173.0008 73920.28787 215316.8221 196808.0691 241518.8034 234942.1487 49513.52289 10089.8472 274161.1162 40750.18621 54621.05819 194756.2312 32322.50026 85815.77302 152870.3283 499663.2328 306373.6404 158013.5264 162984.3813 340011.1913 44229.14929 206392.0116 398208.7728 30590.87262 6092.419643 71123.16949 84992.9134 123088.6746 200364.7209 262576.1239 235257.3154 257345.5625 292033.687 165114.2527 14096.66798 63358.92989 276113.1973 204889.6411 65207.71965 72405.74786 241276.1712 300249.6718 42502.86168 328053.9279
Embelin 2.83E+05 322021.6639 361437.3449 301271.234 638925.5929 469794.1123 301905.1967 293451.3176 519568.4623 359152.1754 335563.9281 606965.4777 230420.1315 209993.8104 447749.6639 231703.9128 324562.7423 487425.0562 232946.4684 265194.8584 386171.2137 464530.5383 928608.8685 242725.6478 338208.8491 487675.5768 253411.727 464032.5261 517769.8058 207929.7399 232026.1946 272743.8522 343952.6676 342701.2028 365018.4022 358842.6661 687593.4211 305518.7792 328921.8321 413755.8616 229286.9045 221716.6064 299057.7724 481179.3429 348533.0497 319338.6054 303454.4078 591206.8133 296405.8449 446968.2611
Eicosapentanoic acid 1.01E+06 66534.886 537697.69 163241.9018 392589.0123 480474.5727 582783.493 82241.84909 750473.8729 454741.4899 266564.1107 343733.2814 101162.1362 17930.87558 1409104.013 150007.4081 573830.8156 480377.0113 310794.3888 98833.54076 221401.7306 748842.8402 602572.1612 274049.0859 366993.8832 652443.3982 99644.13313 1257285.708 746106.4652 67961.6702 116797.1284 151301.2521 758320.0038 149504.6763 618488.66 201419.0617 644668.6923 334659.0091 696372.045 896358.5009 54074.95263 138898.1348 566359.2787 276851.0009 787347.7701 148478.1952 298866.8613 366144.0808 224804.3028 1393248.103
eicosa-8,11,14-trienoic acid 1.85E+06 851872.5384 745620.2167 547106.3026 2268277.153 1796029.423 2476245.532 377494.1899 3151006.704 1271795.149 1781703.329 1846277.884 361542.6937 112031.0295 1576435.981 549136.9676 1009416.428 1759396.819 364806.5392 795755.824 1065384.47 4081683.385 5773892.405 1881897.497 2412300.293 3885763.587 346518.0543 2793968.305 5688989.542 305453.5067 144670.3984 1010029.207 1298939.061 871421.2965 3808905.3 933088.2608 4636948.787 1438935.405 3725677.86 2911492.679 185343.9846 225379.4149 2199745.278 1908277.668 511610.3612 1020532.6 2209702.861 2043918.065 974888.4655 4736900.624
DPPI 9.16E+04 34835.79688 139064.7182 58263.64204 55341.20256 132294.1898 89279.98956 50132.3004 210346.1837 61536.67168 94795.91948 148576.2273 29401.47553 3217.05005 184527.0767 19329.35071 126250.8337 90187.48268 23927.93711 193623.0318 71789.2316 156581.694 145073.9972 59749.24661 100790.4305 142178.446 39939.10456 104453.1927 104921.3158 13251.55551 6572.950601 57312.6649 101633.1694 65155.62787 153117.1714 106145.0707 240559.2592 89106.58582 266131.9102 364279.3759 6258.646085 75020.65037 122535.0058 440435.0868 61292.99874 72773.84804 182828.4371 226868.8046 306987.7874 407996.0741
Docosapentaenoic acid 1.90E+06 370256.63 581030.2244 486020.3356 1522474.883 1401350.553 2035599.241 225104.8468 2294331.401 1023281.625 1521310.782 1092530.189 270414.7565 43387.41413 948797.9848 604689.7142 833822.1328 1074243.087 367150.205 503119.6827 725795.6293 3365981.795 3553166.429 1134863.203 1634163.41 2111355.888 192459.9533 1779775.599 4585021.628 189938.3379 102871.3036 422447.1643 1125478.053 522057.632 2868888.61 847302.3593 2610420.029 833060.7612 2291849.263 2428619.762 111710.6615 111523.6069 1407634.488 1106480.277 552395.9112 421020.7915 959187.5879 1311985.165 596413.8751 3255590.167
Dioleoylphosphatidylserine 2.80E+04 22617.44278 25374.10263 7000.62894 26765.83471 25572.01495 19797.60788 22874.147 60772.95558 82915.74653 47844.64122 41665.67569 4786.623787 5431.554146 31028.68407 10057.43647 13673.37753%2
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name Formula parent medRt
Visnagin C13 H10 O4 230.06096 0.574
Typhasterol C28 H48 O4 448.35508 2.636
turkesterone C27 H44 O8 496.3039 0.774
Tricosylic acid C23 H46 O2 354.34959 3.278
Tocopherol C29 H50 O2 430.38049 3.46
thuwalenyne A C15 H20 Br2 O2 389.98453 0.383
THREONIC ACID, L- C4 H8 O5 136.03621 0.35
Tetrahydro-11-deoxycortisol C21 H34 O4 350.24298 2.727
Tetradecanedioic acid C14 H26 O4 258.18309 0.505
Tetracosanedioic acid C24 H46 O4 398.33935 2.906
taurolithocholic acid sulfate C26 H45 N O8 S2 563.25872 0.654
Taurochenodeoxycholic acid C26 H45 N O6 S 499.29715 1.195
Sulfoglycolithocholic acid C26 H43 N O7 S 513.27581 0.616
ST(d34:1+O) C40 H77 N O12 S 795.51717 3.087
SM(d44:2) C49 H97 N2 O6 P 840.69874 4.042
SM(d42:3) C47 H91 N2 O6 P 810.6538 3.873
SM(d41:2) C46 H91 N2 O6 P 798.65754 3.628
SM(d41:1) C46 H93 N2 O6 P 800.67344 3.701
SM(d40:2) C45 H89 N2 O6 P 784.6445 3.612
SM(d38:1) C43 H87 N2 O6 P 758.63047 3.67
SM(d37:1) C42 H85 N2 O6 P 744.61334 3.632
SM(d36:2) C41 H81 N2 O6 P 728.59212 3.638
SM(d35:2) C40 H79 N2 O6 P 714.56423 3.355
SM(d35:1) C40 H81 N2 O6 P 716.5781 3.551
SM(d32:1) C37 H75 N2 O6 P 674.53317 3.27
S-[(4R,5S,6E,8E,10Z,13Z,16Z)-1-Carboxy-4-hydroxy-6,8,10,13,16-nonadecapentaen-5-yl]-L-cysteinylglycine C25 H38 N2 O6 S 494.25206 0.845
Rifamycin B C39 H49 N O14 755.31522 2.277
ricinelaidic acid C18 H34 O3 298.2507 2.025
Rhodoxanthin C40 H50 O2 562.38685 2.596
rhodoquinone C58 H89 N O3 847.68558 3.635
Retinyl acetate C22 H32 O2 328.24005 2.469
rapanone C19 H30 O4 322.21763 2.363
PS(36:0e) C42 H84 N O9 P 777.58971 3.497
PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46 H76 N O10 P 833.51851 3.273
PS(18:0_20:4) C44 H78 N O10 P 811.53628 3.273
protectin D1 C22 H32 O4 360.22733 2.393
Pregnenolone sulfate C21 H32 O5 S 396.19712 1.056
praecanson A C23 H24 O5 380.16513 2.555
plastochromanol 8 C53 H82 O2 750.63233 3.874
Picrotoxinin C15 H16 O6 292.09061 0.339
PI(18:1_20:4) C47 H81 O13 P 884.54234 3.181
PI(18:1_18:1) C45 H83 O13 P 862.55705 3.264
PI(18:0_22:6) C49 H83 O13 P 910.55727 3.245
PI(18:0_22:4) C49 H87 O13 P 914.58786 3.353
PI(18:0_20:4) C47 H83 O13 P 886.5569 3.262
PI(16:0_22:6) C47 H79 O13 P 882.5266 3.179
PI(16:0_20:4) C45 H79 O13 P 858.52624 3.156
PI(16:0_18:2) C43 H79 O13 P 834.52646 3.158
PI(16:0_18:1) C43 H81 O13 P 836.54177 3.233
Phosphatidylserine C42 H82 N O10 P 791.56826 3.352
PGB2 C20 H30 O4 334.21462 0.709
PE(42:7e) C47 H82 N O7 P 803.58144 3.614
PE(38:3e) C43 H82 N O7 P 755.58261 3.638
PE(18:3e_22:6) C45 H74 N O7 P 771.5197 3.382
PE(18:1e_22:6) C45 H78 N O7 P 775.55153 3.533
PE(18:1e_22:4) C45 H82 N O7 P 779.57122 3.599
PE(18:1e_20:4) C43 H78 N O7 P 751.5513 3.548
PE(18:1e_18:2) C41 H78 N O7 P 727.55148 3.56
PE(18:1e_18:1) C41 H80 N O7 P 729.56721 3.619
PE(18:0_22:5) C45 H80 N O8 P 793.56177 3.526
PE(16:1e_20:4) C41 H74 N O7 P 723.52007 3.461
PE(16:1e_18:2) C39 H74 N O7 P 699.52 3.469
PE(16:0_22:6) C43 H74 N O8 P 763.51496 3.383
PE(16:0_20:4) C41 H74 N O8 P 739.51517 3.403
PE(16:0_18:2) C39 H74 N O8 P 715.51513 3.411
PE(16:0_18:1) C39 H76 N O8 P 717.53057 3.461
pC-HSL C13 H13 N O4 247.08199 0.42
PC(o-22:2(13Z,16Z)/22:3(10Z,13Z,16Z)) C52 H96 N O7 P 877.68927 3.703
PC(20:1e_20:4) C48 H88 N O7 P 821.62481 3.605
PC(20:0e_20:4) C48 H90 N O7 P 823.64358 3.618
PC(18:0e_20:4) C46 H86 N O7 P 795.6135 3.537
PC(18:0_16:0) C42 H84 N O8 P 761.59328 3.329
PC(17:0_20:4) C45 H82 N O8 P 795.58053 3.562
PC(16:1e_20:4) C44 H80 N O7 P 765.55876 3.331
PC(16:1e_18:2) C42 H80 N O7 P 741.56782 3.567
PC(16:0e_20:4) C44 H82 N O7 P 767.57857 3.485
PC(16:0_18:2) C42 H80 N O8 P 757.56198 3.382
PC(16:0_18:1) C42 H82 N O8 P 759.58573 3.383
PC(16:0_17:0) C41 H82 N O8 P 747.56893 3.558
PC(15:0_22:6) C45 H78 N O8 P 791.54647 3.477
PC(15:0_20:4) C43 H78 N O8 P 767.54618 3.454
PC(15:0_18:2) C41 H78 N O8 P 743.54643 3.55
PC(15:0_18:1) C41 H80 N O8 P 745.56209 3.551
PC(14:0_20:4) C42 H76 N O8 P 753.53104 3.403
Palmitelaidic acid C16 H30 O2 254.22425 2.464
PA(16:0_18:2) C37 H69 O8 P 672.47284 3.38
Oxocamphor C10 H14 O2 166.09842 0.555
Oleic acid C18 H34 O2 282.25552 2.726
Octadecanedioic acid C18 H34 O4 314.24597 1.658
oceanalin A C41 H72 N2 O9 736.52903 3.229
OAHFA(38:6) C38 H62 O4 582.46202 2.555
OAHFA(38:4) C38 H66 O4 586.49348 2.726
OAHFA(36:3) C36 H64 O4 560.48097 3.129
O-{Hydroxy[2-(nonadecanoyloxy)-3-(stearoyloxy)propoxy]phosphoryl}-L-serine C43 H84 N O10 P 805.58295 3.44
O-{Hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine C40 H80 N O9 P 749.55556 3.736
O-{Hydroxy[(2R)-3-(icosyloxy)-2-(stearoyloxy)propoxy]phosphoryl}-L-serine C44 H88 N O9 P 805.62007 2.722
O-{Hydroxy[(2R)-2-hydroxy-3-{[(16Z)-2-methoxy-16-tricosen-1-yl]oxy}propoxy]phosphoryl}-L-serine C30 H60 N O9 P 609.40035 2.659
O-{Hydroxy[(2R)-2-hydroxy-3-(icosyloxy)propoxy]phosphoryl}-L-serine C26 H54 N O8 P 539.35867 2.49
O-{Hydroxy[(2R)-2-hydroxy-3-(icosanoyloxy)propoxy]phosphoryl}-L-serine C26 H52 N O9 P 553.33849 2.192
O-{Hydroxy[(2R)-2-[(9Z)-9-octadecenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-threonine C43 H82 N O10 P 803.5677 3.615
O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-(octadecyloxy)propoxy]phosphoryl}-L-serine C44 H82 N O9 P 799.57112 3.347
O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(stearoyloxy)propoxy]phosphoryl}-L-serine C44 H86 N O10 P 819.59868 3.452
O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(icosyloxy)propoxy]phosphoryl}-L-serine C46 H92 N O9 P 833.65051 3.665
O-{[(2R)-3-(Docosanoyloxy)-2-hydroxypropoxy](hydroxy)phosphoryl}-L-serine C28 H56 N O9 P 581.3693 2.444
O-{[(2R)-2-[(9Z)-9-Heptadecenoyloxy]-3-(hexadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine C39 H76 N O9 P 733.51709 3.384
O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(octadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine C46 H84 N O9 P 825.58842 3.529
O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C47 H84 N O10 P 853.58203 3.36
O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine C48 H88 N O9 P 853.61907 3.463
O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C45 H80 N O10 P 825.55218 3.306
O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(henicosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C49 H88 N O10 P 881.6125 3.45
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(octadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine C46 H80 N O9 P 821.5592 3.388
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine C48 H84 N O9 P 849.58951 3.422
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(docosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C50 H86 N O10 P 891.59844 3.372
O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C46 H86 N O10 P 843.59683 3.413
O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C44 H82 N O10 P 815.56768 3.306
O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(hexadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine C44 H84 N O9 P 801.58837 3.437
O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(docosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C50 H94 N O10 P 899.6587 3.545
O-{[(2R)-2-[(11Z)-11-Docosenoyloxy]-3-(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C47 H90 N O10 P 859.63033 3.525
O-{[(2R)-2,3-Bis(docosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C50 H98 N O10 P 903.70532 3.71
O-{[(2R)-2-(Henicosanoyloxy)-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine C47 H94 N O9 P 847.66925 3.702
O-{[(2R)-2-(Docosanoyloxy)-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C46 H90 N O10 P 847.62971 3.542
O-{[(2R)-2-(Docosanoyloxy)-3-(icosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C48 H94 N O10 P 875.67163 3.632
O-{[(2R)-2-(Docosanoyloxy)-3-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine C45 H88 N O10 P 833.61469 3.502
O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-hydroxypropoxy}(hydroxy)phosphoryl]-L-serine C28 H52 N O9 P 577.33809 2.125
O-[{(2R)-3-(Hexadecyloxy)-2-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine C42 H82 N O9 P 775.57259 2.554
O-[{(2R)-3-(Docosanoyloxy)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine C50 H90 N O10 P 895.62955 3.498
O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(1Z)-1-icosen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine C48 H86 N O9 P 851.60386 3.434
O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(11Z)-11-docosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine C50 H88 N O10 P 893.61345 3.21
O-[{(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine C48 H80 N O10 P 861.54469 3.184
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine C46 H84 N O10 P 841.58272 3.412
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(9Z)-9-nonadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine C47 H86 N O10 P 855.59872 3.425
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(9Z)-9-heptadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine C45 H82 N O10 P 827.56755 3.375
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(1Z)-1-icosen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine C48 H90 N O9 P 855.63483 3.538
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine C48 H88 N O10 P 869.61402 3.475
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(11Z)-11-docosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine C50 H92 N O10 P 897.64493 3.538
O-[{(2R)-2-(Docosanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine C44 H84 N O10 P 817.58316 3.383
O-(Hydroxy{(2R)-3-(icosyloxy)-2-[(9Z)-9-nonadecenoyloxy]propoxy}phosphoryl)-L-serine C45 H88 N O9 P 817.62038 3.629
O-(Hydroxy{(2R)-2-hydroxy-3-[(2-methoxytricosyl)oxy]propoxy}phosphoryl)-L-serine C30 H62 N O9 P 611.41608 2.834
O-(Hydroxy{(2R)-2-hydroxy-3-[(2-methoxyhenicosyl)oxy]propoxy}phosphoryl)-L-serine C28 H58 N O9 P 583.3846 2.626
Nutriacholic acid C24 H38 O4 390.27717 2.126
N-tetracosanoylsphinganine C42 H85 N O3 651.64378 3.807
N-hexacosanoylphytosphingosine C44 H89 N O4 695.67958 3.858
N-3-oxo-pentanoyl-L-Homoserine lactone C9 H13 N O4 199.08228 0.409
N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]-L-tyrosine C33 H49 N O7 571.34863 2.192
N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]-L-phenylalanine C33 H49 N O6 555.35299 2.341
N-[(2S,3R,4E,6R)-1,3,6-Trihydroxy-4-octadecen-2-yl]pentacosanamide C43 H85 N O4 679.64834 3.759
N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]-2-hydroxytetracosanamide C42 H81 N O4 663.61669 3.714
N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]-2-hydroxyhexacosanamide C44 H85 N O4 691.64838 3.775
N-[(2S,3R,4E)-1,3-Dihydroxy-4-tetradecen-2-yl]-2-hydroxyhexacosanamide C40 H79 N O4 637.60099 3.694
N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-26-hydroxyhexacosanamide C44 H87 N O4 693.66412 3.784
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-2-hydroxypentacosanamide C43 H87 N O4 681.66353 3.83
N-[(13Z)-docosenoyl]-tetradecasphing-4-enine-1-phosphoethanolamine C38 H75 N2 O6 P 686.53667 3.27
N-(-Ketocaproyl)-L-homoserine lactone C10 H15 N O4 213.09727 0.418
N-(icosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine C36 H73 N2 O6 P 660.52064 3.366
N-(2-hydroxyhexacosanyl)-(4R)-phytosphingosine C44 H89 N O5 711.66653 3.802
Myrmicacin C10 H20 O3 188.14043 0.644
Myristoleic acid C14 H26 O2 226.1929 2.145
MFCD09743632 C26 H46 O2 390.34968 3.216
MFCD05864120 C22 H30 O3 342.21952 2.175
MFCD00270077 C18 H38 N O5 P 379.24877 2.182
MFCD00059633 C14 H28 O3 244.20368 1.763
MFCD00010474 C27 H44 O2 400.33375 2.305
Methyl undec-10-enoate C12 H22 O2 198.16135 1.688
Methyl 8-[(2S,4S,5S,6R)-6-[(1Z,4E)-1,4-heptadien-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-1,3-dioxan-4-yl]octanoate C26 H38 O6 446.26188 2.728
Methyl 15,16-dihydroxytetracosanoate C25 H50 O4 414.37093 2.78
MCTR2 C27 H40 N2 O6 S 520.26742 1.568
Maxacalcitol C26 H42 O4 418.3082 2.331
Maslinic acid C30 H48 O4 472.35451 2.573
lysophosphatidylserine C24 H48 N O9 P 525.30623 2.407
LPI(20:4) C29 H49 O12 P 620.29649 2.058
LPI(18:2) C27 H49 O12 P 596.29656 2.063
LPI(18:0) C27 H53 O12 P 600.32723 2.406
LPE(22:6) C27 H44 N O7 P 525.28529 2.283
LPE(20:4) C25 H44 N O7 P 501.28554 2.303
LPE(20:3) C25 H46 N O7 P 503.3014 2.405
LPE(18:2) C23 H44 N O7 P 477.28539 2.313
LPE(18:1) C23 H46 N O7 P 479.30097 2.48
LPE(16:0) C21 H44 N O7 P 453.28544 2.424
LPC(17:1) C25 H50 N O7 P 507.33164 2.443
LPC(17:0) C25 H52 N O7 P 509.34724 2.626
LPC(16:0) C24 H50 N O7 P 495.33185 2.51
LPC(15:0) C23 H48 N O7 P 481.31619 2.388
LPA(18:2) C21 H39 O7 P 434.24324 2.148
Linolenelaidic acid C18 H30 O2 278.22426 2.39
Lexacalcitol C29 H48 O4 460.35535 2.557
Leukotriene B4 C20 H32 O4 336.2275 2.464
L-(+)-Isoleucine C6 H13 N O2 131.09347 0.416
KOdiA-PC C32 H58 N O11 P 663.37214 2.443
Juniperic acid C16 H32 O3 272.23525 2.119
Itaconic acid C5 H6 O4 130.02555 0.351
Isobutyl furfurylacetate C11 H16 O3 196.10928 0.454
Irilone C16 H10 O6 298.04536 0.42
illudin S C15 H20 O4 264.13621 0.477
Icosa-5,8,11,14-tetraenoic acid C20 H32 O2 304.24009 3.475
Hydroxyneurosporene C40 H60 O 556.47057 3.056
Hexacosanedioic acid C26 H50 O4 426.37075 2.704
Hex2Cer(d34:1) C46 H87 N O13 861.60496 3.406
Hex1Cer(d42:2) C48 H91 N O8 809.67524 3.704
Hex1Cer(d34:1) C40 H77 N O8 699.56458 3.386
Heptacosanedioic acid C27 H52 O4 440.38641 2.706
Hecogenin C27 H42 O4 430.30831 1.826
GPP C10 H20 O7 P2 314.07262 0.349
Glycoursodeoxycholic acid 3-sulfate C26 H43 N O8 S 529.27107 0.5
Glycocholic acid C26 H43 N O6 465.30906 0.694
Glycochenodeoxycholic acid C26 H43 N O5 449.31434 1.12
Glucosylceramide (d18:1/9Z-18:1) C42 H79 N O8 725.5719 3.561
Glepidotin C C19 H22 O3 298.15468 0.577
gitogenin C27 H44 O4 432.32439 1.821
Ginkgoic acid C22 H34 O3 346.25056 2.431
GIBBERELLIN A8-CATABOLITE C19 H22 O7 362.14015 1.056
gibberellin A12 C20 H28 O4 332.19882 0.628
Geranylfarnesyl pyrophosphate C25 H44 O7 P2 518.25174 1.382
Geranyl heptanoate C17 H30 O2 266.22438 2.427
GD3(d34:1) C68 H121 N3 O29 1443.80875 2.889
GD1a-ganglioside C84 H148 N4 O39 1836.97344 3.004
Formebolone C21 H28 O4 344.19888 1.903
FA(18:2) C18 H32 O2 280.23986 2.555
Etretinate C23 H30 O3 354.2167 2.665
Ethyl bromo(iodo)acetate C4 H6 Br I O2 291.85589 0.371
ergosteryl oleate C46 H76 O2 660.58333 3.744
Embelin C17 H26 O4 294.18676 2.12
Eicosapentanoic acid C20 H30 O2 302.22439 2.37
eicosa-8,11,14-trienoic acid C20 H34 O2 306.25565 2.65
DPPI C41 H79 O13 P 810.52635 3.21
Docosapentaenoic acid C22 H34 O2 330.25578 2.603
Dioleoylphosphatidylserine C42 H78 N O10 P 787.53657 3.275
METABOLITES_END
#END