Buxus sempervirens (species) - 数据之源，洞见之始

Buxus sempervirens

ncbi_taxid: 4002 - Buxus sempervirens(species); all_childs: 1954352

taxonomy name: Buxus sempervirens (species)
ancestor: Buxus (genus)

Child Taxonomy

taxonomy name	rank	note
Buxus sempervirens subsp. hyrcana	subspecies	ncbi_taxid: 1954352 - Buxus sempervirens subsp. hyrcana(subspecies); all_childs:

Enzyme Proteins

protein id	name	ec_number	function

Metabolites

LCMS Annotations

Literature Annotations

Metabolite	Database Reference	Structure
Cholesterol Formula: C27H46O Exact Mass: 386.3548 Source ID: CNP0174859.1	CAS Registry: 57-88-5 KEGG: C00187 LipidMAPS: LMST01010001 BioCYC: CHOLESTEROL
Resibufogenin Formula: C24H32O4 Exact Mass: 384.23 Source ID: CNP0227663.1	CAS Registry: 465-39-4 KEGG: C17058 LipidMAPS: BioCYC:
Morphine Formula: C17H19NO3 Exact Mass: 285.1365 Source ID: CNP0144618.2	CAS Registry: 57-27-2 KEGG: C01516 LipidMAPS: BioCYC: MORPHINE
Amentoflavone Formula: C30H18O10 Exact Mass: 538.09 Source ID: CNP0311925.0	CAS Registry: 1617-53-4 KEGG: C10018 LipidMAPS: LMPK12040009 BioCYC: CPD-20497
4-Aminobutanoate Formula: C4H9NO2 Exact Mass: 103.0633 Source ID: CNP0116256.0	CAS Registry: 56-12-2 KEGG: C00334 LipidMAPS: LMFA01100039 BioCYC: 4-AMINO-BUTYRATE
beta-Farnesene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0242426.0	CAS Registry: 18794-84-8 KEGG: C09666 LipidMAPS: LMFA11000040 BioCYC: CPD-8239
Serotonin Formula: C10H12N2O Exact Mass: 176.095 Source ID: CNP0110235.0	CAS Registry: 50-67-9 KEGG: C00780 LipidMAPS: BioCYC: SEROTONIN
Artemetin Formula: C20H20O8 Exact Mass: 388.1158 Source ID: CNP0348920.0	CAS Registry: 479-90-3 KEGG: LipidMAPS: LMPK12113017 BioCYC: CPD-14860
Monoanhydroeschscholtzxanthin Formula: C40H52O Exact Mass: 548.4018 Source ID: CNP0202479.1	CAS Registry: KEGG: LipidMAPS: LMPR01070632 BioCYC:
Eschscholtzxanthin Formula: C40H54O2 Exact Mass: 566.4124 Source ID: CNP0349476.1	CAS Registry: 472-73-1 KEGG: C08593 LipidMAPS: LMPR01070023 BioCYC:
Knipholone Formula: C24H18O8 Exact Mass: 434.1002 Source ID: CNP0313475.0	CAS Registry: 94450-08-5 KEGG: C10365 LipidMAPS: BioCYC:
Campesterol Formula: C28H48O Exact Mass: 400.3705 Source ID: CNP0291093.3	CAS Registry: 474-62-4 KEGG: C01789 LipidMAPS: LMST01030096 BioCYC: CPD-707
L-Adrenaline Formula: C9H13NO3 Exact Mass: 183.0895 Source ID: CNP0255612.1	CAS Registry: 51-43-4 KEGG: C00788 LipidMAPS: BioCYC: L-EPINEPHRINE
Tryptamine Formula: C10H12N2 Exact Mass: 160.1 Source ID: CNP0329876.0	CAS Registry: 61-54-1 KEGG: C00398 LipidMAPS: BioCYC: TRYPTAMINE
E,Z-Platanoside Formula: C39H32O14 Exact Mass: 724.1792 Source ID: CNP0157765.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C26H46N2O Exact Mass: 402.361 Source ID: CNP0248335.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
8-{[(1S,2S,5S,7R,10R,11S,14S,15R)-11-hydroxy-2,15-dimethyl-14-(2-oxo-2H-pyran-5-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-8-oxooctanoic acid Formula: C32H46O7 Exact Mass: 542.3243 Source ID: CNP0200667.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C27H48O4 Exact Mass: 436.3552 Source ID: CNP0274610.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C32H46O8 Exact Mass: 558.3193 Source ID: CNP0222895.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Bufotalin Formula: C26H36O6 Exact Mass: 444.2512 Source ID: CNP0236818.1	CAS Registry: 471-95-4 KEGG: C16923 LipidMAPS: LMST01130023 BioCYC:
Hellebrigenin 3-acetate Formula: C26H34O7 Exact Mass: 458.2304 Source ID: CNP0243448.1	CAS Registry: 4064-09-9 KEGG: C08867 LipidMAPS: BioCYC:
Formula: C24H32O7 Exact Mass: 432.2148 Source ID: CNP0136562.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0172135.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C27H44O5 Exact Mass: 448.3189 Source ID: CNP0177954.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-5-carbamimidamido-2-[[8-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid Formula: C38H58N4O8 Exact Mass: 698.4254 Source ID: CNP0216078.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-2-[[8-[[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-5-acetyloxy-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C40H58N4O11 Exact Mass: 770.4102 Source ID: CNP0341944.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C28H46O5 Exact Mass: 462.3345 Source ID: CNP0154425.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
[2-(5-hydroxy-1H-indol-3-yl)ethyl]urea Formula: C11H13N3O2 Exact Mass: 219.1008 Source ID: CNP0593941.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Desacetylbufotalin Formula: C24H34O5 Exact Mass: 402.2406 Source ID: CNP0293797.1	CAS Registry: 465-19-0 KEGG: LipidMAPS: LMST01130024 BioCYC:
Resibufogenin Formula: C24H32O4 Exact Mass: 384.23 Source ID: CNP0227663.2	CAS Registry: 465-39-4 KEGG: C17058 LipidMAPS: BioCYC:
Bufobutanoic Acid Formula: C14H16N2O4 Exact Mass: 276.111 Source ID: CNP0567337.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
137018-33-8 Formula: C43H36O17 Exact Mass: 824.1952 Source ID: CNP0178552.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C31H40O9 Exact Mass: 556.2672 Source ID: CNP0317879.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Desacetylcinobufotalin Formula: C24H32O6 Exact Mass: 416.2199 Source ID: CNP0355001.1	CAS Registry: 4099-30-3 KEGG: LipidMAPS: LMST01130035 BioCYC:
Formula: C27H46O2 Exact Mass: 402.3498 Source ID: CNP0147119.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
BUXAMINE F Formula: C26H44N2 Exact Mass: 384.3504 Source ID: CNP0361906.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-2-[[6-[[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16S)-5-acetyloxy-11-formyl-16-hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-6-oxohexanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C38H52N4O12 Exact Mass: 756.3582 Source ID: CNP0164114.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C23H30O7 Exact Mass: 418.1991 Source ID: CNP0400990.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
19-hydroxydesacetylcinobufagin Formula: C24H32O6 Exact Mass: 416.2199 Source ID: CNP0194741.1	CAS Registry: KEGG: LipidMAPS: LMST01130030 BioCYC:
Formula: C10H14N2O3 Exact Mass: 210.1004 Source ID: CNP0215503.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate Formula: C39H32O14 Exact Mass: 724.1792 Source ID: CNP0157765.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
5-[(1R,2S,4R,6R,7R,10S,11S,14R,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one Formula: C24H32O4 Exact Mass: 384.23 Source ID: CNP0227663.3	CAS Registry: KEGG: LipidMAPS: BioCYC:
Buxamine E Formula: C26H44N2 Exact Mass: 384.3504 Source ID: CNP0252727.1	CAS Registry: 14317-17-0 KEGG: C10795 LipidMAPS: BioCYC:
Marinobufagenin Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0290788.1	CAS Registry: 470-42-8 KEGG: C20036 LipidMAPS: BioCYC:
Bufarenogin Formula: C24H32O6 Exact Mass: 416.2199 Source ID: CNP0276504.1	CAS Registry: 17008-65-0 KEGG: LipidMAPS: LMST01130070 BioCYC:
Bufotenine Formula: C12H16N2O Exact Mass: 204.1263 Source ID: CNP0126238.0	CAS Registry: 487-93-4 KEGG: C08299 LipidMAPS: BioCYC:
Bufalin Formula: C24H34O4 Exact Mass: 386.2457 Source ID: CNP0242033.1	CAS Registry: 465-21-4 KEGG: C16922 LipidMAPS: LMST01130001 BioCYC:
Gamabufogenin Formula: C24H34O5 Exact Mass: 402.2406 Source ID: CNP0400994.1	CAS Registry: 465-11-2 KEGG: C16962 LipidMAPS: LMST01130026 BioCYC:
[(1S,2R,5R,7S,10S,11S,14R,15R,20S)-16-ethenyl-7-hydroxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-20-yl] acetate Formula: C25H36O4 Exact Mass: 400.2613 Source ID: CNP0219260.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
12beta-hydroxyresibufogenin Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0144690.1	CAS Registry: 2042-58-2 KEGG: LipidMAPS: LMST01130028 BioCYC:
Pseudobufarenogin Formula: C24H32O6 Exact Mass: 416.2199 Source ID: CNP0276504.2	CAS Registry: 17008-69-4 KEGG: LipidMAPS: LMST01130069 BioCYC:
Formula: C38H54O13 Exact Mass: 718.3564 Source ID: CNP0198417.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C23H30O7 Exact Mass: 418.1991 Source ID: CNP0296787.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C32H46O8 Exact Mass: 558.3193 Source ID: CNP0412233.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
NSC234204 Formula: C30H38O9 Exact Mass: 542.2516 Source ID: CNP0104244.1	CAS Registry: 36615-12-0 KEGG: LipidMAPS: BioCYC:
Formula: C26H34O7 Exact Mass: 458.2304 Source ID: CNP0145889.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Cinobufaginol Formula: C26H34O7 Exact Mass: 458.2304 Source ID: CNP0303582.1	CAS Registry: 6691-83-4 KEGG: LipidMAPS: BioCYC:
Platanoside Formula: C39H32O14 Exact Mass: 724.1792 Source ID: CNP0157765.3	CAS Registry: 133740-25-7 KEGG: LipidMAPS: LMPK12111890 BioCYC:
8-[[(1R,2S,4R,6R,7R,10R,11S,14S,16R)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoic acid Formula: C32H44O7 Exact Mass: 540.3087 Source ID: CNP0202319.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
methyl 4-[(3S,5R,8R,9S,10S,13S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate Formula: C24H34O4 Exact Mass: 386.2457 Source ID: CNP0192277.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Cinobufotalin Formula: C26H34O7 Exact Mass: 458.2304 Source ID: CNP0145889.2	CAS Registry: 1108-68-5 KEGG: C16932 LipidMAPS: LMST01130034 BioCYC:
Formula: C25H32O8 Exact Mass: 460.2097 Source ID: CNP0220017.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Bufogargarizin B Formula: C25H30O8 Exact Mass: 458.1941 Source ID: CNP0572288.1	CAS Registry: KEGG: LipidMAPS: LMST01130065 BioCYC:
Formula: C18H24N2O4 Exact Mass: 332.1736 Source ID: CNP0528132.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C28H36O8 Exact Mass: 500.241 Source ID: CNP0173474.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
8-[[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoic acid Formula: C34H46O9 Exact Mass: 598.3142 Source ID: CNP0195734.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-2-[[8-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C40H60N4O10 Exact Mass: 756.4309 Source ID: CNP0551710.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H32O6 Exact Mass: 416.2199 Source ID: CNP0355920.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-5-carbamimidamido-2-[[8-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid Formula: C38H56N4O10 Exact Mass: 728.3996 Source ID: CNP0363914.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H30O6 Exact Mass: 414.2042 Source ID: CNP0179164.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2R)-2-[[8-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-2-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C40H60N4O10 Exact Mass: 756.4309 Source ID: CNP0252152.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Cinobufagin Formula: C26H34O6 Exact Mass: 442.2355 Source ID: CNP0213539.1	CAS Registry: 470-37-1 KEGG: C16931 LipidMAPS: LMST01130032 BioCYC:
(+)-buxapapillinine Formula: C37H52N2O6 Exact Mass: 620.3825 Source ID: CNP0558701.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C28H36O7 Exact Mass: 484.2461 Source ID: CNP0233574.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Bufotenin oxide Formula: C12H16N2O2 Exact Mass: 220.1212 Source ID: CNP0528958.0	CAS Registry: 1019-44-9 KEGG: LipidMAPS: BioCYC:
Cycloprotobuxine C Formula: C27H48N2 Exact Mass: 400.3817 Source ID: CNP0197861.1	CAS Registry: 1936-70-5 KEGG: C10799 LipidMAPS: BioCYC:
Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0217554.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
N-Methylserotonin Formula: C11H14N2O Exact Mass: 190.1106 Source ID: CNP0367300.0	CAS Registry: 1134-01-6 KEGG: C06212 LipidMAPS: BioCYC:
19-oxobufalin Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0201783.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H34O5 Exact Mass: 402.2406 Source ID: CNP0400994.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H32O4 Exact Mass: 384.23 Source ID: CNP0264796.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-2-[[7-[[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-7-oxoheptanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C39H56N4O10 Exact Mass: 740.3996 Source ID: CNP0162926.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-2-[[4-[[(3S,5R,8R,9S,10S,13R,14S,16R,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C36H52N4O10 Exact Mass: 700.3683 Source ID: CNP0195212.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H30O7 Exact Mass: 430.1991 Source ID: CNP0326193.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C27H44O5 Exact Mass: 448.3189 Source ID: CNP0229168.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
20R,21-Epoxyresibufogenin Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0163974.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
19-Oxocinobufotalin Formula: C26H32O8 Exact Mass: 472.2097 Source ID: CNP0493800.1	CAS Registry: 24512-60-5 KEGG: LipidMAPS: BioCYC:
(2S)-2-[[4-[[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C36H50N4O10 Exact Mass: 698.3527 Source ID: CNP0168489.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C23H30O7 Exact Mass: 418.1991 Source ID: CNP0400990.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
20,21-epoxy-resibufogenin Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0163974.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Bufoserotonin C Formula: C18H19N3O3 Exact Mass: 325.1426 Source ID: CNP0482347.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C25H32O5 Exact Mass: 412.225 Source ID: CNP0302866.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C26H44N2O Exact Mass: 400.3453 Source ID: CNP0156320.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
5beta-Dermophol Formula: C27H48O6 Exact Mass: 468.3451 Source ID: CNP0113894.1	CAS Registry: KEGG: LipidMAPS: LMST04030007 BioCYC:
Formula: C34H46O9 Exact Mass: 598.3142 Source ID: CNP0195734.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C28H48O5 Exact Mass: 464.3502 Source ID: CNP0150218.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(1R,2S,4R,5R,6S,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-6-[(Z)-1-oxobut-2-en-2-yl]-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate Formula: C25H36O5 Exact Mass: 416.2563 Source ID: CNP0118838.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C28H50O5 Exact Mass: 466.3658 Source ID: CNP0320323.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(5S)-4-formyl-9-methoxy-5-methyl-5,6-dihydrobenzo[f][1]benzofuran-3-yl]methyl acetate Formula: C18H18O5 Exact Mass: 314.1154 Source ID: CNP0144935.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(4S)-4-[[(2S)-5-[[C-[[(1R,2S,4R,5R,6R,7R,10R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]carbonimidoyl]amino]-2-aminopentanoyl]amino]-5-oxopentanoic acid Formula: C37H52N4O10 Exact Mass: 712.3683 Source ID: CNP0231809.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C25H30O8 Exact Mass: 458.1941 Source ID: CNP0076594.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H32O7 Exact Mass: 432.2148 Source ID: CNP0166136.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1S,2R,5S,7S,10R,11S,14R,15R)-16-ethenyl-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-ene-5,7-diol Formula: C23H34O3 Exact Mass: 358.2508 Source ID: CNP0219376.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1R,2R)-1-(4-hydroxy-2-imino-1H-pteridin-6-yl)propane-1,2,3-triol Formula: C9H11N5O4 Exact Mass: 253.0811 Source ID: CNP0575555.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
5-[(5R,8S,9R,10R,13S,14R,17S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one Formula: C22H30O2 Exact Mass: 326.2246 Source ID: CNP0168763.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Cyclobuxine D Formula: C25H42N2O Exact Mass: 386.3297 Source ID: CNP0350820.1	CAS Registry: 2241-90-9 KEGG: C10797 LipidMAPS: BioCYC:
5-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one Formula: C24H32O4 Exact Mass: 384.23 Source ID: CNP0214996.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-2-[[8-[[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C40H58N4O10 Exact Mass: 754.4153 Source ID: CNP0538342.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
5-[(3S,5R,8R,9R,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-13-methyl-12-oxo-1,2,3,4,5,6,7,8,9,10,11,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one Formula: C23H30O6 Exact Mass: 402.2042 Source ID: CNP0556645.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C26H34O6 Exact Mass: 442.2355 Source ID: CNP0213539.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H32O8S Exact Mass: 480.1818 Source ID: CNP0439238.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H32O7S Exact Mass: 464.1869 Source ID: CNP0475232.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-5-carbamimidamido-2-[[4-[[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-4-oxobutanoyl]amino]pentanoic acid Formula: C34H48N4O9 Exact Mass: 656.3421 Source ID: CNP0133141.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H34O6 Exact Mass: 418.2355 Source ID: CNP0239574.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C26H36O6 Exact Mass: 444.2512 Source ID: CNP0236818.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
23-Hydroxybetulin Formula: C30H50O3 Exact Mass: 458.376 Source ID: CNP0260241.2	CAS Registry: 84414-40-4 KEGG: LipidMAPS: BioCYC:
(2S)-2-[[9-[[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-5-acetyloxy-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-9-oxononanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C41H60N4O11 Exact Mass: 784.4258 Source ID: CNP0531978.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H30O5 Exact Mass: 398.2093 Source ID: CNP0207593.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-5-carbamimidamido-2-[[8-[[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid Formula: C38H58N4O9 Exact Mass: 714.4204 Source ID: CNP0164294.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
1beta-hydroxybufalin Formula: C24H34O5 Exact Mass: 402.2406 Source ID: CNP0295067.1	CAS Registry: 366004-27-5 KEGG: LipidMAPS: LMST01130021 BioCYC:
Formula: C23H34O5 Exact Mass: 390.2406 Source ID: CNP0167973.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-2-[[7-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-7-oxoheptanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C39H58N4O10 Exact Mass: 742.4153 Source ID: CNP0219961.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-2-[[6-[[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-6-oxohexanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C38H54N4O10 Exact Mass: 726.384 Source ID: CNP0177799.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-5-carbamimidamido-2-[[4-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoyl]amino]pentanoic acid Formula: C34H50N4O8 Exact Mass: 642.3628 Source ID: CNP0593757.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(3S,5S,8R,9R,10R,13R,14S,16S,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate Formula: C26H36O7 Exact Mass: 460.2461 Source ID: CNP0150963.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Isogermafurene Formula: C15H20O Exact Mass: 216.1514 Source ID: CNP0241147.2	CAS Registry: 17910-09-7 KEGG: LipidMAPS: BioCYC:
Bufotenidine Formula: C13H18N2O Exact Mass: 218.1419 Source ID: CNP0568008.0	CAS Registry: 487-91-2 KEGG: LipidMAPS: BioCYC:
13-Hydroxy-14-oxocacalohastin Formula: C16H16O4 Exact Mass: 272.1049 Source ID: CNP0356964.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0247344.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C30H46O3 Exact Mass: 454.3447 Source ID: CNP0188734.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C23H36O4 Exact Mass: 376.2613 Source ID: CNP0152489.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C18H20O4 Exact Mass: 300.1362 Source ID: CNP0230505.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-5-carbamimidamido-2-[[4-[[(3S,5S,8S,9S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoyl]amino]pentanoic acid Formula: C34H50N4O9 Exact Mass: 658.3578 Source ID: CNP0277946.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-2-[[4-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C36H52N4O10 Exact Mass: 700.3683 Source ID: CNP0195212.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(1R,2S,4R,5R,6R,7R,10R,11R,14S,16R,17S)-14,17-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate Formula: C26H34O7 Exact Mass: 458.2304 Source ID: CNP0161632.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-2-[[5-[[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid Formula: C37H52N4O10 Exact Mass: 712.3683 Source ID: CNP0326332.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C29H38O8 Exact Mass: 514.2567 Source ID: CNP0357957.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C25H32O6 Exact Mass: 428.2199 Source ID: CNP0402358.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Hellebrigenin Formula: C24H32O6 Exact Mass: 416.2199 Source ID: CNP0355920.2	CAS Registry: 465-90-7 KEGG: C16969 LipidMAPS: LMST01130004 BioCYC:
(2S)-5-carbamimidamido-2-[[4-[[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoyl]amino]pentanoic acid Formula: C34H50N4O9 Exact Mass: 658.3578 Source ID: CNP0184337.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H32O6 Exact Mass: 416.2199 Source ID: CNP0355920.3	CAS Registry: KEGG: LipidMAPS: BioCYC:
(+)-buxoxybenzamine Formula: C35H50N2O5 Exact Mass: 578.372 Source ID: CNP0554228.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Telocinobufagin Formula: C24H34O5 Exact Mass: 402.2406 Source ID: CNP0287846.2	CAS Registry: 472-26-4 KEGG: C17072 LipidMAPS: LMST01130025 BioCYC:
[(1R,2S,4R,6S,7R,10S,11S,14S,16R)-7,11-dimethyl-6-[(1R,6R)-3-oxo-2,7-dioxabicyclo[4.1.0]hept-4-en-6-yl]-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] formate Formula: C25H32O6 Exact Mass: 428.2199 Source ID: CNP0402358.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C26H34O7 Exact Mass: 458.2304 Source ID: CNP0294801.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Cyclovirobuxine C Formula: C27H48N2O Exact Mass: 416.3766 Source ID: CNP0213617.1	CAS Registry: 30276-35-8 KEGG: C10801 LipidMAPS: BioCYC:
SEMPERVIRAMINOL Formula: C35H52N2O4 Exact Mass: 564.3927 Source ID: CNP0208259.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2S)-5-carbamimidamido-2-[[4-[[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-4-oxobutanoyl]amino]pentanoic acid Formula: C34H48N4O8 Exact Mass: 640.3472 Source ID: CNP0170481.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
19-oxodesacetylcinobufagin Formula: C24H30O6 Exact Mass: 414.2042 Source ID: CNP0283351.1	CAS Registry: KEGG: LipidMAPS: LMST01130017 BioCYC:
Formula: C26H34O9S Exact Mass: 522.1923 Source ID: CNP0464314.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C29H38O7 Exact Mass: 498.2617 Source ID: CNP0225414.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(3ss,5ss)-3-Hydroxycholan-24-oic acid Formula: C24H40O3 Exact Mass: 376.2977 Source ID: CNP0202730.3	CAS Registry: KEGG: LipidMAPS: BioCYC:
19-hydroxyresibufogenin Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0355381.1	CAS Registry: KEGG: LipidMAPS: LMST01130027 BioCYC:
Suberic acid Formula: C8H14O4 Exact Mass: 174.0892 Source ID: CNP0210905.0	CAS Registry: 505-48-6 KEGG: C08278 LipidMAPS: LMFA01170001 BioCYC: CPD0-1264
17-OXOCYCLOPROTOBUXINE Formula: C23H37NO Exact Mass: 343.2875 Source ID: CNP0271340.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C26H34O5 Exact Mass: 426.2406 Source ID: CNP0126503.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Isoprene Formula: C5H8 Exact Mass: 68.0626 Source ID: CNP0489519.0	CAS Registry: 78-79-5 KEGG: C16521 LipidMAPS: BioCYC: CPD-9436
Formula: C24H30O5 Exact Mass: 398.2093 Source ID: CNP0296760.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Desacetylcinobufagin Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0172135.2	CAS Registry: 4026-95-3 KEGG: LipidMAPS: LMST01130033 BioCYC:
Irehine Formula: C23H39NO Exact Mass: 345.3031 Source ID: CNP0228020.3	CAS Registry: 2309-39-9 KEGG: C10810 LipidMAPS: BioCYC:
Formula: C25H37NO Exact Mass: 367.2875 Source ID: CNP0292696.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
LSM-1793 Formula: C26H26N2O3 Exact Mass: 414.1943 Source ID: CNP0137719.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C27H46N2O Exact Mass: 414.361 Source ID: CNP0113964.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Cyclobuxophylline O Formula: C24H37NO Exact Mass: 355.2875 Source ID: CNP0161149.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Buxithienine M Formula: C25H37NO Exact Mass: 367.2875 Source ID: CNP0273967.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C25H42N2O Exact Mass: 386.3297 Source ID: CNP0298905.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C25H37NO Exact Mass: 367.2875 Source ID: CNP0140517.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C26H39NO2 Exact Mass: 397.2981 Source ID: CNP0142832.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C33H48N2O2 Exact Mass: 504.3716 Source ID: CNP0207626.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C35H52N2O4 Exact Mass: 564.3927 Source ID: CNP0302479.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Galactobuxin Formula: C25H28O13 Exact Mass: 536.153 Source ID: CNP0205356.2	CAS Registry: KEGG: LipidMAPS: LMPK12112938 BioCYC:
Formula: C33H48N2O2 Exact Mass: 504.3716 Source ID: CNP0426891.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
137018-33-8 Formula: C43H36O17 Exact Mass: 824.1952 Source ID: CNP0178552.4	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate Formula: C39H56O5 Exact Mass: 604.4128 Source ID: CNP0559334.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(2R,3R,4S,5R,6S)-3,4-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate Formula: C43H36O17 Exact Mass: 824.1952 Source ID: CNP0178552.5	CAS Registry: KEGG: LipidMAPS: BioCYC:
Kaempferol 3-O-alpha-L-(2, 3-di-Z-p-coumaroyl) rhamnoside Formula: C39H32O14 Exact Mass: 724.1792 Source ID: CNP0157765.7	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate Formula: C39H56O5 Exact Mass: 604.4128 Source ID: CNP0546170.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Formula: C40H58O6 Exact Mass: 634.4233 Source ID: CNP0480769.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1~{S},2~{R},3'~{S},5~{S},6~{S},9~{S},11~{R},15~{S},17~{R},19~{R},21~{R})-2,3',6-trimethylspiro[16,18-dioxahexacyclo[15.3.1.0^{2,15}.0^{5,14}.0^{6,11}.0^{15,19}]henicosane-21,2'-oxirane]-9-ol Formula: C23H34O4 Exact Mass: 374.2457 Source ID: CNP0368660.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Formula: C40H58O6 Exact Mass: 634.4233 Source ID: CNP0489570.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(2R,3R,4S,5R,6S)-3,4-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate Formula: C43H36O17 Exact Mass: 824.1952 Source ID: CNP0178552.7	CAS Registry: KEGG: LipidMAPS: BioCYC:
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate Formula: C39H56O5 Exact Mass: 604.4128 Source ID: CNP0546170.2	CAS Registry: KEGG: LipidMAPS: BioCYC: