MonarchInit/C3PO huggingface dataset:
Compound: 5,7,3'-Trihydroxy-3,6,8,4'-tetramethoxyflavone
SMILES: O1C=2C(C(=O)C(OC)=C1C3=CC(O)=C(OC)C=C3)=C(O)C(OC)=C(O)C2OC
Compound: 5,7,4'-Trihydroxy-3,6,8,3'-tetramethoxyflavone
SMILES: O1C=2C(C(=O)C(OC)=C1C3=CC(OC)=C(O)C=C3)=C(O)C(OC)=C(O)C2OC
Compound: Deacetyleupaserrin
SMILES: O1[C@]2([C@@]([C@H](OC(=O)/C(/CO)=C/C)CC(=C[C@@H](O)CC(=C2)C)C)(C(C1=O)=C)[H])[H]
Compound: 5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone
SMILES: O1C(CC(=O)C=2C1=CC(OC)=C(OC)C2O)C3=CC(O)=C(OC)C=C3
Compound: Agestricin D
SMILES: O1C(CC(=O)C=2C1=CC(OC)=C(O)C2OC)C3=CC(OC)=C(O)C=C3
Compound: 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone
SMILES: O1C(CC(=O)C2=C1C(OC)=C(OC)C=C2O)C=3C(OC)=CC=CC3O
Compound: 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
SMILES: O1C(CC(=O)C2=C1C(OC)=C(OC)C=C2O)C3=CC(O)=C(OC)C=C3
Compound: 5,6-Dihydroxy-7,8,4'-trimethoxyflavanone
SMILES: O1C(CC(=O)C=2C1=C(OC)C(OC)=C(O)C2O)C3=CC=C(OC)C=C3
Compound: 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone
SMILES: O1C(CC(=O)C=2C1=CC(OC)=C(OC)C2O)C=3C(OC)=CC=CC3O
Compound: 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone
SMILES: O1C2=C(OC1)C(OC)=C(O)C(C(=O)CCC3=CC=C(OC)C=C3)=C2O
Compound: (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol
SMILES: O[C@H](CC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C(=C/3\C[C@@H](O)CCC3=C([2H])[2H])/[2H])[H])C)[H])C)C(O)(C)C
Compound: PGF2alpha-EA(d4)
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)C/C=C\C(C(CC(=O)NCCO)([2H])[2H])([2H])[2H]
Compound: 7,11,12-Triacetoxycoumestan
SMILES: O1C2=C(C=3C1=CC(OC(=O)C)=C(OC(=O)C)C3)C(OC4=C2C=CC(OC(=O)C)=C4)=O
Compound: all-trans-Carophyll yellow
SMILES: O(C(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C=1C(CCCC1C)(C)C)/C)\C)/C)/C)CC
Compound: Orientanol A
SMILES: O1[C@@]2([C@](O)(C3=C1C(C[C@H](O)C(O)(C)C)=C(OC)C=C3)COC4=C2C=CC(O)=C4)[H]
Compound: 3,5,6,7,3',4',5'-Heptamethoxyflavone
SMILES: O1C=2C(=C(OC)C(OC)=C(OC)C2)C(=O)C(OC)=C1C3=CC(OC)=C(OC)C(OC)=C3
Compound: Agehoustin B
SMILES: O1C(C=2C(OC)=C(OC)C(OC)=C(OC)C2)=CC(=O)C=3C1=CC(OC)=C(OC)C3OC
Compound: Dihydroformononetin 7-O-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC=3OCC(C(=O)C3C=C2)C4=CC=C(OC)C=C4)CO
Compound: Benthamitin
SMILES: O1C=2C(=C(OC)C(OC)=C(OC)C2)C(=O)C(OC)=C1C=3C(OC)=CC(OC)=C(OC)C3
Compound: Isosakuranetin 7-O-rhamnoside
SMILES: O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)C
Compound: 2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
SMILES: O1C2=C(OC)C(=C(OC)C=C2OC1)C(=O)\C=C\C=3C(OC)=C(OC)C(OC)=C(OC)C3
Compound: Dulciol A
SMILES: O1C=2C(=C(C(O)=C(O)C2C/C=C(/CCC=C(C)C)\C)CC=C(C)C)C(=O)C=3C1=CC(O)=CC3O
Compound: Sabadelin
SMILES: O1[C@@H]([C@@H]1CC/C=C\CCCCCCCCCCC2=C[C@@H](OC2=O)C)CCCCCCCCCCCCCC
Compound: Epoxymurin B
SMILES: O1C(C1CC/C=C\CCCCCCCCCCCCC2=CC(OC2=O)C)CCCCCCCCCCCC
Compound: Epomuricenin B
SMILES: O1C(C1CC/C=C/CCCCCCCCCCCCCC)CCCCCCCCCCC2=CC(OC2=O)C
Compound: 30-(-2-(O-2-hydroxy-ethane)-3-hydroxy-propane)-hopane
SMILES: O(C(CCC(C1C2[C@@](C3[C@]([C@]4(C([C@@]5(C(CC4)C(CCC5)(C)C)C)CC3)C)(CC2)C)(CC1)C)C)CO)CCO
Compound: Gossypetin 3-glucuronide-8-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3OC(=C(O[C@@H]4OC([C@@H](O)C(O)C4O)C(O)=O)C(=O)C3C(O)=CC2O)C5=CC(O)=C(O)C=C5)CO
Compound: 2-hydroxyisobutyrate
SMILES: CC(C)(O)C([O-])=O
Compound: Maclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside)
SMILES: O1C(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1COC(=O)C3=CC=C(O)C=C3)C4=C(O)C(=C(O)C=C4O)C(=O)C5=CC(O)=C(O)C=C5
Compound: Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside)
SMILES: O1C(C(OC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1COC(=O)C3=CC(O)=C(O)C(O)=C3)C4=C(O)C(=C(O)C=C4O)C(=O)C5=CC(O)=C(O)C=C5
Compound: PE-Cer(d16:2(4E,6E)/21:0)
SMILES: P(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/C=C/CCCCCCCCC)(OCCN)(O)=O
Compound: PE-Cer(d15:2(4E,6E)/22:0)
SMILES: P(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/C=C/CCCCCCCC)(OCCN)(O)=O
Compound: PA(P-20:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(P-18:0/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(P-16:0/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCC)(O)(O)=O
Compound: PE(P-20:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(P-18:0/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PC(P-20:0/14:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)([O-])=O
Compound: 1-O-alpha-D-glucopyranosyl-(2-hexadecanoyloxy)-eicosan-1-ol
SMILES: O1C([C@@H](O)C(O)[C@H](O)[C@H]1OCC(OC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CO
Compound: PS(12:0/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(14:0/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(17:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(21:0/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(20:0/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(19:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(16:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(15:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(13:0/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 2-hydroxyisophthalic acid
SMILES: OC(=O)c1cccc(C(O)=O)c1O
Compound: PS(19:1(9Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(20:3(8Z,11Z,14Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(21:0/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(22:2(13Z,16Z)/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PC(26:2(5Z,9E)/26:2(5Z,9E))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\CC\C=C\CCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\CC\C=C\CCCCCCCCCCCCCCCC)([O-])=O
Compound: PC(26:2(5E,9Z)/26:2(5E,9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC\C=C\CC/C=C\CCCCCCCCCCCCCCCC)COC(=O)CCC\C=C\CC/C=C\CCCCCCCCCCCCCCCC)([O-])=O
Compound: PC(26:2(5E,9E)/26:2(5E,9E)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC\C=C\CC\C=C\CCCCCCCCCCCCCCCC)COC(=O)CCC\C=C\CC\C=C\CCCCCCCCCCCCCCCC)([O-])=O
Compound: PC(26:2(6Z,9Z)/26:2(6Z,9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\CCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\CCCCCCCCCCCCCCCC)([O-])=O
Compound: PC(26:2(5Z,9Z)/26:2(5Z,9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)([O-])=O
Compound: PC(32:0/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)([O-])=O
Compound: 2-hydroxylamino-4,6-dinitrotoluene
SMILES: Cc1c(NO)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Compound: PC(20:4(5Z,8Z,11Z,14Z)/32:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)([O-])=O
Compound: TG(21:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(21:0/22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 3-Ethyl-5-methylphenol
SMILES: OC=1C=C(CC)C=C(C1)C
Compound: 3-Ethyl-4-methylphenol
SMILES: OC1=CC(CC)=C(C=C1)C
Compound: 4-Ethyl-2-methylphenol
SMILES: OC1=C(C=C(CC)C=C1)C
Compound: 2-Ethyl-5-methylphenol
SMILES: OC1=C(CC)C=CC(=C1)C
Compound: 2-Ethyl-4-methylphenol
SMILES: OC1=C(CC)C=C(C=C1)C
Compound: 6-Ethyl-o-cresol
SMILES: OC=1C(CC)=CC=CC1C
Compound: 2-(1-Pentenyl)furan
SMILES: O1C(\C=C\CCC)=CC=C1
Compound: (2-Methoxyethyl)benzene
SMILES: O(CCC1=CC=CC=C1)C
Compound: 2,4,6-Trimethylphenol
SMILES: OC1=C(C=C(C=C1C)C)C
Compound: 2E,4Z,6Z-Nonatrienal
SMILES: O=C/C=C/C=C\C=C/CC
Compound: 4-Methyl-2-pentyloxazole
SMILES: O1C(=NC(=C1)C)CCCCC
Compound: 4-Ethyl-5-methyl-2-propyloxazole
SMILES: O1C(=NC(=C1C)CC)CCC
Compound: 4-Ethyl-2-methyl-5-propyloxazole
SMILES: O1C(CCC)=C(N=C1C)CC
Compound: 2-Ethyl-4-methyl-5-propyloxazole
SMILES: O1C(CCC)=C(N=C1CC)C
Compound: 5-Ethyl-4-methyl-2-(1-methylethyl)oxazole
SMILES: O1C(=NC(=C1CC)C)C(C)C
Compound: 5-Ethyl-2-methyl-4-propyloxazole
SMILES: O1C(=C(N=C1C)CCC)CC
Compound: 4-Ethyl-5-methyl-2-(1-methylethyl)oxazole
SMILES: O1C(=NC(=C1C)CC)C(C)C
Compound: 2-Phenyl-4-pentenal
SMILES: O=CC(C1=CC=CC=C1)CC=C
Compound: 4Z-Tridecenal
SMILES: O=CCC/C=C\CCCCCCCC
Compound: 5-Ethyl-2E-undecen-4-one
SMILES: O=C(C(CCCCCC)CC)/C=C/C
Compound: 7-Ethyl-4E-undecen-6-one
SMILES: O=C(C(CCCC)CC)/C=C/CCC
Compound: 3E-Tridecen-2-one
SMILES: O=C(\C=C\CCCCCCCCC)C
Compound: 6-Tridecen-2-one
SMILES: O=C(CCC\C=C\CCCCCC)C
Compound: 5E-dodecenoic acid
SMILES: OC(=O)CCC\C=C\CCCCCC
Compound: 6E-Nonenyl acetate
SMILES: O(CCCCC/C=C/CC)C(=O)C
Compound: 2-Nonenyl acetate
SMILES: O(C\C=C\CCCCCC)C(=O)C
Compound: formyl 4Z-decenoate
SMILES: O(C(=O)CC/C=C\CCCCC)C
Compound: (2S,6R,8S)-2,8-Dimethyl-1,7-dioxaspiro[5.5]undecane
SMILES: O1C2(O[C@@H](CCC2)C)CCC[C@@H]1C
Compound: 2-Ethyl-7-methyl-1,6-dioxaspiro[4.5]decane
SMILES: O1C2(OC(CCC2)C)CCC1CC
Compound: 2-Methyl-1,7-dioxaspiro[5.6]dodecane
SMILES: O1C2(OCCCCC2)CCCC1C
Compound: 2,7-Diethyl-1,6-dioxaspiro[4.4]nonane
SMILES: O1C2(OC(CC2)CC)CCC1CC
Compound: 7-Ethyl-2R-methyl-1,6-dioxaspiro[4.5]decane
SMILES: O1C2(O[C@@H](CC2)C)CCCC1CC
Compound: 2-Ethyl-1,7-dioxaspiro[5.5]undecane
SMILES: O1C2(OCCCC2)CCCC1CC
Compound: 2S-Ethyl-7-methyl-1,6-dioxaspiro[4.5]decane
SMILES: O1C2(OC(CCC2)C)CC[C@@H]1CC
Compound: (2S,6S,8S)-2,8-Dimethyl-1,7-dioxaspiro[5.5]undecane
SMILES: O1C2(O[C@H](CCC2)C)CCC[C@@H]1C
Compound: 2-Methyl-7-propyl-1,6-dioxaspiro[4.4]nonane
SMILES: O1C2(OC(CC2)C)CCC1CCC
Compound: 2,7-Dimethyl-1,6-dioxaspiro[4.6]undecane
SMILES: O1C2(OC(CCCC2)C)CCC1C
Compound: 5Z-undecenoic acid
SMILES: OC(=O)CCC/C=C\CCCCC
Compound: 5E-undecenoic acid
SMILES: OC(=O)CCC\C=C\CCCCC
Compound: 6Z-undecenoic acid
SMILES: OC(=O)CCCC/C=C\CCCC
Compound: 8Z-undecenoic acid
SMILES: OC(=O)CCCCCC/C=C\CC
Compound: 4-ethyl-2-methyl-2-octenoic acid
SMILES: OC(=O)\C(=C\C(CCCC)CC)\C
Compound: 3-Butylidene-1(3H)-isobenzofuranone
SMILES: O1/C(/C=2C(C1=O)=CC=CC2)=C/CCC
Compound: 4,7,11,14-hexadecatetraenoic acid
SMILES: OC(=O)CC\C=C\C\C=C\CC/C=C/C/C=C/C
Compound: 16:4(6,9,12,15)
SMILES: OC(=O)CCCC/C=C\CC=CCC=CCC=C
Compound: 4,8,12,16-hexadecatetraenoic acid
SMILES: OC(=O)CC\C=C\CC/C=C/C/C=C/CCC=C
Compound: 2Z,6Z,8Z,12Z-hexadecatetraenoic acid
SMILES: OC(=O)/C=C\CC\C=C/C=C\CC/C=C\CCC
Compound: 2E,6Z,8Z,12Z-hexadecatetraenoic acid
SMILES: OC(=O)\C=C\CC\C=C/C=C\CC/C=C\CCC
Compound: 2Z,6Z,8Z,12E-hexadecatetraenoic acid
SMILES: OC(=O)/C=C\CC/C=C\C=C/CC/C=C/CCC
Compound: 4-[3]-ladderane-butanoic acid
SMILES: OC(=O)CCCC1CC2C3C(C4C3CC4)C2CC1
Compound: 4-hydroxy-pentadecanoic acid
SMILES: OC(CCCCCCCCCCC)CCC(O)=O
Compound: 2R-hydroxy-pentadecanoic acid
SMILES: O[C@H](CCCCCCCCCCCCC)C(O)=O
Compound: (Z)-3,7-Dimethyl-2,6-octadienyl octanoate
SMILES: O(C(=O)CCCCCCC)C/C=C(\CCC=C(C)C)/C
Compound: (E)-3,7-Dimethyl-2,6-octadienyl octanoate
SMILES: O(C(=O)CCCCCCC)C\C=C(\CCC=C(C)C)/C
Compound: Ethyl (Z,Z)-11,13-hexadecadienoate
SMILES: O(C(=O)CCCCCCCCC\C=C/C=C\CC)CC
Compound: 10Z,12E-Hexadecadienyl acetate
SMILES: O(CCCCCCCCC/C=C\C=C\CCC)C(=O)C
Compound: 11Z,13Z-Hexadecadienyl acetate
SMILES: O(CCCCCCCCCC\C=C/C=C\CC)C(=O)C
Compound: 7Z,11Z-Hexadecadienyl acetate
SMILES: O(CCCCCC/C=C\CC/C=C\CCCC)C(=O)C
Compound: 8Z,10Z-Hexadecadienyl acetate
SMILES: O(CCCCCCC\C=C/C=C\CCCCC)C(=O)C
Compound: 11-Hexadecynyl acetate
SMILES: O(CCCCCCCCCCC#CCCCC)C(=O)C
Compound: 11Z,13E-Hexadecadienyl acetate
SMILES: O(CCCCCCCCCC/C=C\C=C\CC)C(=O)C
Compound: 11Z,14E-Hexadecadienyl acetate
SMILES: O(CCCCCCCCCC/C=C\C/C=C/C)C(=O)C
Compound: 7Z,11E-Hexadecadienyl acetate
SMILES: O(CCCCCC/C=C\CC/C=C/CCCC)C(=O)C
Compound: 11E,13E-Hexadecadienyl acetate
SMILES: O(CCCCCCCCCC/C=C/C=C/CC)C(=O)C
Compound: 10E,12E-Hexadecadienyl acetate
SMILES: O(CCCCCCCCC/C=C/C=C/CCC)C(=O)C
Compound: 11E,13Z-Hexadecadienyl acetate
SMILES: O(CCCCCCCCCC/C=C/C=C\CC)C(=O)C
Compound: 4E,6Z-Hexadecadienyl acetate
SMILES: O(CCC/C=C/C=C\CCCCCCCCC)C(=O)C
Compound: 6E,11Z-Hexadecadienyl acetate
SMILES: O(CCCCC/C=C/CCC/C=C\CCCC)C(=O)C
Compound: 9E,11Z-Hexadecadienyl acetate
SMILES: O(CCCCCCCC/C=C/C=C\CCCC)C(=O)C
Compound: 10E,12Z-Hexadecadienyl acetate
SMILES: O(CCCCCCCCC/C=C/C=C\CCC)C(=O)C
Compound: 9Z-octadecadien-4R-olide
SMILES: O1[C@H](CCCC/C=C\CCCCCCCC)CCC1=O
Compound: 7-trans,9-cis-octadecadienoic acid
SMILES: OC(=O)CCCCC/C=C/C=C\CCCCCCCC
Compound: 8-octadecynoic acid
SMILES: OC(=O)CCCCCCC#CCCCCCCCCC
Compound: 3-octadecynoic acid
SMILES: OC(=O)CC#CCCCCCCCCCCCCCC
Compound: 2-octadecynoic acid
SMILES: OC(=O)C#CCCCCCCCCCCCCCCC
Compound: 10-octadecynoic acid
SMILES: OC(=O)CCCCCCCCC#CCCCCCCC
Compound: 7-octadecynoic acid
SMILES: OC(=O)CCCCCC#CCCCCCCCCCC
Compound: 4-octadecynoic acid
SMILES: OC(=O)CCC#CCCCCCCCCCCCCC
Compound: 16-octadecynoic acid
SMILES: OC(=O)CCCCCCCCCCCCCCC#CC
Compound: 15-octadecynoic acid
SMILES: OC(=O)CCCCCCCCCCCCCC#CCC
Compound: 14-octadecynoic acid
SMILES: OC(=O)CCCCCCCCCCCCC#CCCC
Compound: 5E,12E-octadecadienoic acid
SMILES: OC(=O)CCC\C=C\CCCCC/C=C/CCCCC
Compound: 5E,12Z-octadecadienoic acid
SMILES: OC(=O)CCC\C=C\CCCCC/C=C\CCCCC
Compound: 5Z,12E-otadecadienoic acid
SMILES: OC(=O)CCC/C=C\CCCCC/C=C/CCCCC
Compound: 5Z,12Z-otadecadienoic acid
SMILES: OC(=O)CCC/C=C\CCCCC/C=C\CCCCC
Compound: 8Z,11Z-octadecadienoic acid
SMILES: OC(=O)CCCCCC/C=C\C/C=C\CCCCCC
Compound: 8E,10E-octadecadienoic acid
SMILES: OC(=O)CCCCCC\C=C\C=C\CCCCCCC
Compound: 6, 8-octadecadienoic acid
SMILES: OC(=O)CCCC/C=C/C=C/CCCCCCCCC
Compound: 9E,12Z-octadecadienoic acid
SMILES: OC(=O)CCCCCCC/C=C/C/C=C\CCCCC
Compound: 10E,12E-octadecadienoic acid
SMILES: OC(=O)CCCCCCCC\C=C\C=C\CCCCC
Compound: 11Z,15Z-octadecadienoic acid
SMILES: OC(=O)CCCCCCCCC/C=C\CC/C=C\CC
Compound: 13Z,16Z-octadecadienoic acid
SMILES: OC(=O)CCCCCCCCCCC/C=C\C/C=C\C
Compound: 2Z,5Z-octadecadienoic acid
SMILES: OC(=O)/C=C\C/C=C\CCCCCCCCCCCC
Compound: 2E,6E-octadecadienoic acid
SMILES: OC(=O)\C=C\CC\C=C\CCCCCCCCCCC
Compound: 14Z,17-octadecadienoic acid
SMILES: OC(=O)CCCCCCCCCCCC/C=C/CC=C
Compound: 2Z,6Z-octadecadienoic acid
SMILES: OC(=O)/C=C\CC/C=C\CCCCCCCCCCC
Compound: 3Z,12Z-octadecadienoic acid
SMILES: OC(=O)C/C=C\CCCCCCC/C=C\CCCCC
Compound: 3E,7E-octadecadienoic acid
SMILES: OC(=O)C\C=C\CC\C=C\CCCCCCCCCC
Compound: 4E,8E-octadecadienoic acid
SMILES: OC(=O)CC\C=C\CC\C=C\CCCCCCCCC
Compound: 4,9-octadecadienoic acid
SMILES: OC(=O)CC\C=C\CCC\C=C\CCCCCCCC
Compound: 3Z,7Z-octadecadienoic acid
SMILES: OC(=O)C/C=C\CC/C=C\CCCCCCCCCC
Compound: 3Z,6Z-octadecadienoic acid
SMILES: OC(=O)C/C=C\C/C=C\CCCCCCCCCCC
Compound: 5,11-octadecadienoic acid
SMILES: OC(=O)CCC\C=C\CCCC\C=C\CCCCCC
Compound: 5,10-octadecadienoic acid
SMILES: OC(=O)CCC\C=C\CCC\C=C\CCCCCCC
Compound: 4Z,8Z-octadecadienoic acid
SMILES: OC(=O)CC/C=C\CC/C=C\CCCCCCCCC
Compound: 4Z,7Z-octadecadienoic acid
SMILES: OC(=O)CC/C=C\C/C=C\CCCCCCCCCC
Compound: 5Z,11Z-octadecadienoic acid
SMILES: OC(=O)CCC/C=C\CCCC/C=C\CCCCCC
Compound: 5E,9Z-octadecadienoic acid
SMILES: OC(=O)CCC\C=C\CC/C=C\CCCCCCCC
Compound: 6,11-octadecadienoic acid
SMILES: OC(=O)CCCC\C=C\CCC\C=C\CCCCCC
Compound: 5Z,9E-octadecadienoic acid
SMILES: OC(=O)CCC/C=C\CC\C=C\CCCCCCCC
Compound: 6E,12E-octadecadienoic acid
SMILES: OC(=O)CCCC\C=C\CCCC/C=C/CCCCC
Compound: 6E,11Z-octadecadienoic acid
SMILES: OC(=O)CCCC\C=C\CCC/C=C\CCCCCC
Compound: 6E,10E-octadecadienoic acid
SMILES: OC(=O)CCCC/C=C/CC\C=C\CCCCCCC
Compound: 7E,12E-octadecadienoic acid
SMILES: OC(=O)CCCCC/C=C/CCC\C=C\CCCCC
Compound: 6Z,11Z-octadecadienoic acid
SMILES: OC(=O)CCCC/C=C\CCC/C=C\CCCCCC
Compound: 8,12-octadecadienoic acid
SMILES: OC(=O)CCCCCC/C=C/CC\C=C\CCCCC
Compound: 8,11-octadecadienoic acid
SMILES: OC(=O)CCCCCC/C=C/C\C=C\CCCCCC
Compound: 7Z,11Z-octadecadienoic acid
SMILES: OC(=O)CCCCC/C=C\CC/C=C\CCCCCC
Compound: 7Z,10Z-octadecadienoic acid
SMILES: OC(=O)CCCCC/C=C\C/C=C\CCCCCCC
Compound: 9,13-octadecadienoic acid
SMILES: OC(=O)CCCCCCC/C=C/CC/C=C/CCCC
Compound: 11Z,14Z-octadecadienoic acid
SMILES: OC(=O)CCCCCCCCC/C=C\C/C=C\CCC
Compound: 16-methyl-9Z,12Z-heptadecadienoic acid
SMILES: OC(=O)CCCCCCC/C=C\C/C=C\CCC(C)C
Compound: 16-methyl-6Z,9Z-heptadecadienoic acid
SMILES: OC(=O)CCCC/C=C\C/C=C\CCCCCC(C)C
Compound: 16:2(2E,4E)(5Me,7Me[S])
SMILES: OC(=O)\C=C\C(=C\[C@H](CCCCCCCCCC)C)\C
Compound: Juvenile hormone II acid
SMILES: O1[C@](C1CC/C(=C/CC/C(/C)=C/C(O)=O)/C)(CC)C
Compound: (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid
SMILES: O=C1[C@H]([C@H](CC1)CCCCCC(O)=O)C/C=C\CC
Compound: Isopropyl 9Z-hexadecenoate
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCC)C(C)C
Compound: 7-Methyloctyl (Z)-4-decenoate
SMILES: O(CCCCCCC(C)C)C(=O)CC/C=C\CCCCC
Compound: 11Z-Heptadecenyl acetate
SMILES: O(CCCCCCCCCC/C=C\CCCCC)C(=O)C
Compound: 7-Ethylheptadecane-4,6-dione
SMILES: O=C(C(CCCCCCCCCC)CC)CC(=O)CCC
Compound: 19:1(12Z)
SMILES: OC(=O)CCCCCCCCCC/C=C\CCCCCC
Compound: 19:1(11Z)
SMILES: OC(=O)CCCCCCCCC/C=C\CCCCCCC
Compound: 19:1(6Z)
SMILES: OC(=O)CCCC/C=C\CCCCCCCCCCCC
Compound: 19:1(13Z)
SMILES: OC(=O)CCCCCCCCCCC/C=C\CCCCC
Compound: 2-nonadecenoic acid
SMILES: OC(=O)\C=C\CCCCCCCCCCCCCCCC
Compound: 7Z-nonadecenoic acid
SMILES: OC(=O)CCCCC/C=C\CCCCCCCCCCC
Compound: 7E-nonadecenoic acid
SMILES: OC(=O)CCCCC\C=C\CCCCCCCCCCC
Compound: 4-heptyl-2-methyl-2-undecenoic acid
SMILES: OC(=O)\C(=C\C(CCCCCCC)CCCCCCC)\C
Compound: 2,5-dimethyl-2-heptadecenoic acid
SMILES: OC(=O)\C(=C\CC(CCCCCCCCCCCC)C)\C
Compound: 10-methylene-octadecanoic acid
SMILES: OC(=O)CCCCCCCCC(CCCCCCCC)=C
Compound: 18:1(12E)(11Me)
SMILES: OC(=O)CCCCCCCCCC(/C=C/CCCCC)C
Compound: Isoavocadienofuran
SMILES: O1C(C\C=C\CCCCCCCCC=C)=CC=C1
Compound: Avocadienofuran
SMILES: O1C(/C=C\CCCCCCCCCC=C)=CC=C1
Compound: 16-bromo-7E,15E-hexadecadien-5,13-diynoic acid
SMILES: Br\C=C\C#CCCCC/C=C/C#CCCCC(O)=O
Compound: pseudomonine
SMILES: C[C@@H]1ON(CCC2=CNC=N2)C(=O)[C@H]1NC(=O)C1=CC=CC=C1O
Compound: Citronellyl cinnamate
SMILES: O(CCC(CCC=C(C)C)C)C(=O)/C=C/C1=CC=CC=C1
Compound: 15:6(2Z,4E,6Z,8E,12E,14)(6Me,8Me,10Me[S],13Me)
SMILES: OC(=O)\C=C/C=C/C(=C\C(=C\[C@H](C/C=C(\C)/C=C)C)\C)/C
Compound: alpha-Amylcinnamyl isovalerate
SMILES: O(C\C(\CCCCC)=C/C1=CC=CC=C1)C(=O)CC(C)C
Compound: 6-oxo-famciclovir
SMILES: O(CC(CCN1C=2N=C(NC(=O)C2N=C1)N)COC(=O)C)C(=O)C
Compound: 3alpha-Hydroxy-7-oxo-5alpha-cholan-24-oic Acid
SMILES: O=C1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4([C@@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: 3beta,19-Dihydroxychol-5-en-24-oic Acid
SMILES: OC[C@@]12[C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(CC=C1C[C@@H](O)CC2)[H])[H]
Compound: 3alpha,7alpha-Dihydroxy-5beta-chol-16-en-24-oic Acid
SMILES: O[C@H]1[C@@]2([C@@]([C@@]3([C@](C1)(C[C@H](O)CC3)[H])C)(CC[C@]4([C@]2(CC=C4[C@@H](CCC(O)=O)C)[H])C)[H])[H]
Compound: 3alpha,12alpha-Dihydroxy-5beta-chol-8-en-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@](C3=C([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)C1)(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 3alpha,12alpha-Dihydroxy-5beta-chol-9(11)-en-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3(C([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)=C1)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 3beta,7beta-Dihydroxychol-5-en-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4(C(=C1)C[C@@H](O)CC4)C)[H])C)[H])[H]
Compound: 3beta,7alpha-Dihydroxychol-5-en-24-oic Acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4(C(=C1)C[C@@H](O)CC4)C)[H])C)[H])[H]
Compound: 3beta,7alpha-Dihydroxychol-4-en-24-oic Acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4(C(C1)=C[C@@H](O)CC4)C)[H])C)[H])[H]
Compound: 2-hydroxyoctadecanoic acid
SMILES: CCCCCCCCCCCCCCCCC(O)C(O)=O
Compound: 3alpha,7beta-Dihydroxy-5beta-chol-11-en-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C=C[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: 3alpha,7beta-Dihydroxychol-5-en-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4(C(=C1)C[C@H](O)CC4)C)[H])C)[H])[H]
Compound: 3alpha,7alpha-Dihydroxy-5beta-chol-11-en-24-oic Acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C=C[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: 3alpha,7alpha-Dihydroxychol-5-en-24-oic Acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4(C(=C1)C[C@H](O)CC4)C)[H])C)[H])[H]
Compound: 3alpha,12alpha-Dihydroxy-5beta-chol-14-en-24-oic Acid
SMILES: O[C@@H]1[C@]2(C([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])=CC[C@@]2([C@@H](CCC(O)=O)C)[H])C
Compound: 3alpha-Hydroxy-12-oxo-5alpha-cholan-24-oic Acid
SMILES: O=C1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 3alpha,12beta-Dihydroxy-5beta-chol-9(11)-en-24-oic Acid
SMILES: O[C@H]1[C@]2([C@]([C@]3(C([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)=C1)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 12alpha-Hydroxy-7-oxo-5beta-cholan-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3=O)(CCCC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 7alpha,12alpha-Dihydroxy-5beta-chol-2-en-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(CC=CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 3beta-Hydroxy-6-oxo-5alpha-cholan-24-oic Acid
SMILES: O=C1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(C1)[H])[H])(CC[C@H](O)C2)C)[H]
Compound: 7beta-Hydroxy-12-oxo-5alpha-cholan-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C(=O)C[C@@]2([C@@]4([C@@](C1)(CCCC4)[H])C)[H])C)[H])[H]
Compound: 7alpha-Hydroxy-12-oxo-5alpha-cholan-24-oic Acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C(=O)C[C@@]2([C@@]4([C@@](C1)(CCCC4)[H])C)[H])C)[H])[H]
Compound: 12alpha-Hydroxy-3-oxo-5alpha-cholan-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(CC(=O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 6alpha-Hydroxy-3-oxo-5alpha-cholan-24-oic Acid
SMILES: O[C@@H]1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(C1)[H])[H])(CCC(=O)C2)C)[H]
Compound: 7beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(CC(=O)CC4)[H])C)[H])C)[H])[H]
Compound: 7beta-Hydroxy-12-oxo-5beta-cholan-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C(=O)C[C@@]2([C@@]4([C@](C1)(CCCC4)[H])C)[H])C)[H])[H]
Compound: 7alpha-Hydroxy-12-oxo-5beta-cholan-24-oic Acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C(=O)C[C@@]2([C@@]4([C@](C1)(CCCC4)[H])C)[H])C)[H])[H]
Compound: 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(C1)[H])[H])(CCC(=O)C2)C)[H]
Compound: 6beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
SMILES: O[C@H]1[C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(C1)[H])[H])(CCC(=O)C2)C)[H]
Compound: 3beta-Hydroxy-11-oxo-5beta-cholan-24-oic Acid
SMILES: O=C1[C@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C1)C)[H])(CC[C@]4([C@@]2(CC[C@H](O)C4)C)[H])[H])[H]
Compound: 2-hydroxytetrahydrofuran
SMILES: OC1CCCO1
Compound: Benzyl glycinate 4-methylbenzenesulfonate salt
SMILES: S(O)(=O)(=O)C1=CC=C(C=C1)C.O(CC1=CC=CC=C1)C(=O)CN
Compound: 5,7,8-Trihydroxyflavanone 7-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(O)C=3OC(CC(=O)C3C(O)=C2)C4=CC=CC=C4)CO
Compound: 4'-Hydroxyfenoprofen glucuronide
SMILES: O1[C@@H]([C@@H](O)[C@H](OC2=CC=C(OC=3C=C(C(C)C(O)=O)C=CC3)C=C2)[C@@H](O)C1O)C(O)=O
Compound: 5-Hydroxyaloin A
SMILES: O1[C@@]([C@@]2(C3=C(C(=O)C=4C2=C(O)C=CC4O)C(O)=CC(=C3)CO)[H])([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)[H]
Compound: 7-Hydroxyaloin B
SMILES: O1[C@@]([C@]2(C3=C(C(=O)C4=C2C=CC(O)=C4O)C(O)=CC(=C3)CO)[H])([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)[H]
Compound: Monospermoside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C(C=CC2O)/C=C/C(=O)C3=C(O)C=C(O)C=C3)CO
Compound: Agehoustin D
SMILES: O1C=2C(=C(O)C(OC)=C(OC)C2OC)C(=O)C=C1C=3C(OC)=C(O)C(OC)=C(OC)C3
Compound: Isocarthamidin 7-O-rhamnoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC2=C(O)C=3OC(CC(=O)C3C(O)=C2)C4=CC=C(O)C=C4)C
Compound: 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone
SMILES: O1C=2C(C(=O)C(OC)=C1C3=CC(OC)=C(OC)C(OC)=C3)=C(O)C(OC)=C(O)C2OC
Compound: Digicitrin
SMILES: O1C=2C(C(=O)C(OC)=C1C=3C=C(OC)C(OC)=C(O)C3)=C(O)C(OC)=C(OC)C2OC
Compound: 3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
SMILES: O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C(OC)=C1C3=CC(O)=C(OC)C(O)=C3
Compound: 5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone
SMILES: O1C=2C(C(=O)C(OC)=C1C=3C(OC)=CC(OC)=C(OC)C3)=C(O)C(OC)=C(O)C2OC
Compound: 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone
SMILES: O1C=2C(C(=O)C(OC)=C1C=3C(O)=CC(OC)=C(OC)C3)=C(O)C(OC)=C(OC)C2OC
Compound: Isomonospermoside
SMILES: O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C=C(C3OC4=C(C(=O)C3)C=CC(O)=C4)C=CC2O)CO
Compound: Isocoreopsin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3O[C@@H](CC(=O)C3C=C2)C4=CC(O)=C(O)C=C4)CO
Compound: Isookaninrhamnoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC2=C(O)C=3OC(CC(=O)C3C=C2)C4=CC(O)=C(O)C=C4)C
Compound: Palodulcin B
SMILES: O1[C@]([C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)(C=2C=3OC(CC(=O)C3C=CC2O)C4=CC(O)=C(O)C=C4)[H]
Compound: Naringenin 4'-O-galactoside
SMILES: O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=C2)CO
Compound: Eriodictyol 5-O-rhamnoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(CC3=O)C4=CC(O)=C(O)C=C4)C=C(O)C2)C
Compound: Coreopsin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO
Compound: 2',4',6',beta-Tetrahydroxychalcone 4'-glucoside
SMILES: O1[C@@H](C(O)[C@@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C(O)=C2)C(=O)CC(=O)C3=CC=CC=C3)CO
Compound: 2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
SMILES: O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C(=C(O)C=C(O)C2)C(=O)CC(=O)C3=CC=CC=C3)CO
Compound: PA(15:1(9Z)/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(O)(O)=O
Compound: Reticulatamol
SMILES: OC(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCC1=CC(OC1=O)C
Compound: DG(14:0/0:0/20:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](O)COC(=O)CCCCCCCCCCCCC
Compound: DG(13:0/21:0/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCC)CO
Compound: DG(12:0/22:0/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC)CO
Compound: DG(15:0/19:0/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCCC)CO
Compound: DG(17:0/17:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCCCCC)CO
Compound: PE(15:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: DG(14:1n5/0:0/20:5n3)
SMILES: O(C(=O)CCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/0:0)
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: PA(12:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Compound: PA(13:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: PA(16:0/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(15:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(O)(O)=O
Compound: DG(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: PA(14:0/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O)(O)=O
Compound: PC(10:0/16:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC)([O-])=O
Compound: PC(12:0/14:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC)([O-])=O
Compound: PC(14:1(9Z)/12:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)([O-])=O
Compound: PE(12:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(13:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(15:1(9Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(14:0/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(16:1(9Z)/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE(17:1(9Z)/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OCCN)(O)=O
Compound: PE(18:2(9Z,12Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(15:0/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PC(12:0/18:2(9Z,12Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC)([O-])=O
Compound: PC(13:0/17:2(9Z,12Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCCC)([O-])=O
Compound: PC(17:2(9Z,12Z)/13:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)([O-])=O
Compound: PC(15:1(9Z)/15:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCC)([O-])=O
Compound: PE(13:0/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(18:1(9Z)/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(19:1(9Z)/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(OCCN)(O)=O
Compound: PE(15:1(9Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(14:1(9Z)/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN)(O)=O
Compound: PE(17:2(9Z,12Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(OCCN)(O)=O
Compound: PE(16:1(9Z)/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE(17:1(9Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OCCN)(O)=O
Compound: PE(16:0/17:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PC(18:2(9Z,12Z)/12:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Compound: PE(20:2(11Z,14Z)/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: DG(16:1n7/0:0/22:6n3)
SMILES: O(C(=O)CCCCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(18:3n6/0:0/20:4n6)
SMILES: O(C(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)C[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
SMILES: O(C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO)C(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(20:3n9/0:0/18:4n3)
SMILES: O(C(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: DG(18:3n6/0:0/20:4n3)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/0:0)
SMILES: O(C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)CO)C(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(18:3n3/0:0/20:4n3)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C[C@@H](O)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(20:3n6/0:0/18:4n3)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)C[C@@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(20:4n6/0:0/18:3n3)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C[C@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: DG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)
SMILES: O([C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO)C(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/0:0)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/0:0)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: DG(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
SMILES: O([C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)CO)C(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0)
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCC)[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: PA(14:0/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O)(O)=O
Compound: PA(13:0/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: PA(15:1(9Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(O)(O)=O
Compound: PA(15:0/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(19:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(19:1(9Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(O)(O)=O
Compound: PA(20:1(11Z)/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: PA(16:1(9Z)/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)(O)=O
Compound: PA(17:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(17:1(9Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(O)(O)=O
Compound: PA(18:0/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(16:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)(O)=O
Compound: PE(18:1(9Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(18:1(11Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE(15:0/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: 4-oxohex-2-enedioic acid
SMILES: [H]C(=C([H])C(=O)CC(O)=O)C(O)=O
Compound: DG(16:0/0:0/22:6n3)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(18:1n7/0:0/20:5n3)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(16:1n7/0:0/22:5n6)
SMILES: O(C(=O)CCCCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(16:1n7/0:0/22:5n3)
SMILES: O(C(=O)CCCCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(18:3n6/0:0/20:3n6)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)C[C@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(20:3n9/0:0/18:3n3)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C[C@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: DG(20:3n9/0:0/18:3n6)
SMILES: O(C(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)C[C@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: DG(18:1n9/0:0/20:5n3)
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(20:3n6/0:0/18:3n3)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C[C@H](O)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PC(14:1(9Z)/16:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)([O-])=O
Compound: PC(16:0/14:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCC)([O-])=O
Compound: PA(12:0/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Compound: PA(14:0/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O)(O)=O
Compound: PA(18:0/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(15:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(16:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(13:0/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: PA(21:0/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(19:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(20:0/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PE(16:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PC(13:0/17:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCC)([O-])=O
Compound: PC(17:1(9Z)/13:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)([O-])=O
Compound: PC(18:1(9Z)/12:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: PC(15:0/15:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Compound: PC(15:1(9Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)([O-])=O
Compound: PE(13:0/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(18:0/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(19:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(19:1(9Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(OCCN)(O)=O
Compound: PE(15:1(9Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(14:0/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(14:1(9Z)/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN)(O)=O
Compound: PE(16:1(9Z)/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE(17:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(17:1(9Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OCCN)(O)=O
Compound: PE(20:1(11Z)/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: DG(18:2n6/0:0/20:4n3)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\CCCCCC)C[C@@H](O)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(20:2n6/0:0/20:4n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(20:2n6/0:0/20:4n3)
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](O)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(17:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\CCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: PA(15:0/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(13:0/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: PA(14:0/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O)(O)=O
Compound: PA(12:0/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Compound: PA(21:0/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(22:0/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(20:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(17:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PC(17:0/14:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCC)([O-])=O
Compound: PE(22:1(11Z)/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(OCCN)(O)=O
Compound: PC(12:0/19:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCC)([O-])=O
Compound: PC(14:0/17:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCC)([O-])=O
Compound: PC(13:0/18:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCC)([O-])=O
Compound: PC(14:1(9Z)/17:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)([O-])=O
Compound: PC(18:1(9Z)/13:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: PC(15:1(9Z)/16:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)([O-])=O
Compound: PC(16:0/15:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)([O-])=O
Compound: PE(12:0/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(19:0/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(15:1(9Z)/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(15:0/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(17:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(17:1(9Z)/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OCCN)(O)=O
Compound: PC(19:1(9Z)/12:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)([O-])=O
Compound: cholest-5-en-3beta-yl eicosanoate
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)C(=O)CCCCCCCCCCCCCCCCCCC
Compound: 18:0 Sitosteryl ester
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@H](C(C)C)CC)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)C(=O)CCCCCCCCCCCCCCCCC
Compound: GlcCer(d15:1/18:0)
SMILES: O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCC)CO
Compound: PE(17:0/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(22:1(11Z)/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(OCCN)(O)=O
Compound: PC(13:0/19:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCC)([O-])=O
Compound: PC(17:1(9Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)([O-])=O
Compound: PC(17:0/15:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCC)([O-])=O
Compound: PC(15:0/17:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Compound: PC(15:1(9Z)/17:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)([O-])=O
Compound: PE(18:1(9Z)/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(18:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: 2-methylacetoacetate
SMILES: CC(C(C)=O)C([O-])=O
Compound: PE(19:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(19:1(9Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(OCCN)(O)=O
Compound: PE(15:1(9Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(13:0/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(14:1(9Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN)(O)=O
Compound: PE(16:1(9Z)/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE(17:1(9Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OCCN)(O)=O
Compound: PE(16:0/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PC(19:1(9Z)/13:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)([O-])=O
Compound: PE(20:0/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(21:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PC(20:1(11Z)/12:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: PG(19:0/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(15:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(16:0/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(17:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(18:0/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(14:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(13:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(12:0/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: GlcCer(d15:2(4E,6E)/20:0)
SMILES: O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/C=C/CCCCCCCC)CO
Compound: GlcCer(d15:1/20:0)
SMILES: O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCC)CO
Compound: PC(16:0/18:2(9E,12E))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)([O-])=O
Compound: PE-NMe(18:1(9E)/18:1(9E))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC)(OCCNC)(O)=O
Compound: PS(P-18:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(P-20:0/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PG(P-16:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)CO/C=C\CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(P-18:0/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))
SMILES: P(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))
SMILES: P(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))
SMILES: P(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O