MonarchInit/C3PO huggingface dataset:
Compound: GPEtn(16:1/22:6)
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: 1-(3,4-dimethoxyphenyl)ethane-1,2-diol
SMILES: COc1ccc(cc1OC)C(O)CO
Compound: N1-(4-butyl-2-methylphenyl)-2-(benzylamino)-2-thioxoacetamide
SMILES: S=C(NCC1=CC=CC=C1)C(=O)NC2=C(C=C(CCCC)C=C2)C
Compound: Xylenesulfonate
SMILES: S([O-])(=O)(=O)C=1C(=C(C=CC1)C)C
Compound: 2-(Acetylamino)hexanoic acid
SMILES: OC(=O)C(NC(=O)C)CCCC
Compound: 4-(octyloxy)benzoic acid
SMILES: O(CCCCCCCC)C1=CC=C(C=C1)C(O)=O
Compound: PC(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCC)([O-])=O
Compound: PC(18:1(17Z)/18:1(17Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC=C)COC(=O)CCCCCCCCCCCCCCCC=C)([O-])=O
Compound: PC(16:0/19:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)([O-])=O
Compound: PE(20:2/20:2)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PC(O-20:0/14:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COCCCCCCCCCCCCCCCCCCCC)([O-])=O
Compound: PC(P-20:0/16:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)([O-])=O
Compound: TG(14:1(9Z)/19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(15:0/16:0/17:0)[iso6]
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: PC(19:1(9Z)/14:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)([O-])=O
Compound: PC(15:0/20:3(8Z,11Z,14Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Compound: PC(19:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCC)([O-])=O
Compound: PC(18:0/17:2(9Z,12Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCC)([O-])=O
Compound: [(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate
SMILES: P(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)CC=CCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: Hallacridone
SMILES: O1C2=C(C=3N(C=4C(C(=O)C3C(O)=C2)=CC=CC4)C)C=C1C(=O)C
Compound: L-4-Chlorotryptophan
SMILES: ClC=1C=2C(CC(N)C(O)=O)=CNC2C=CC1
Compound: (Z)-14-Methyl-6-pentadecenoic acid
SMILES: OC(=O)CCCC\C=C\CCCCCCC(C)C
Compound: GDP-L-fucose
SMILES: C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O
Compound: Citronellyl hexanoate
SMILES: O(CCC(CCC=C(C)C)C)C(=O)CCCCC
Compound: (E)-3-Hexadecenoic acid
SMILES: OC(=O)C/C=C\CCCCCCCCCCCC
Compound: (Z)-5-Hexadecenoic acid
SMILES: OC(=O)CCC\C=C\CCCCCCCCCC
Compound: 15-Hexadecanolide
SMILES: O1C(CCCCCCCCCCCCCC1=O)C
Compound: 5-Dodecyldihydro-2(3H)-furanone
SMILES: O1C(CCCCCCCCCCCC)CCC1=O
Compound: Ethyl 2E,4Z-hexadecadienoate
SMILES: O(C(=O)/C=C/C=C\CCCCCCCCCCC)CC
Compound: 5-Octadecynoic acid
SMILES: OC(=O)CCCC#CCCCCCCCCCCCC
Compound: Linalyl caprylate
SMILES: O(C(CCC=C(C)C)(C)C=C)C(=O)CCCCCCC
Compound: Mangiferic acid
SMILES: OC(=O)CCCCCCC/C=C/CCCC/C=C/CC
Compound: 7Z-octadecenoic acid
SMILES: OC(=O)CCCCC/C=C\CCCCCCCCCC
Compound: S-inosyl-L-homocysteine
SMILES: N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12)C(O)=O
Compound: CPA(16:0/0:0)
SMILES: P1(OC(COC(=O)CCCCCCCCCCCCCCC)CO1)(O)=O
Compound: LysoPA(0:0/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)(O)(O)=O
Compound: ent-8(17),13(16),14-Labdatrien-18-oic acid
SMILES: OC(=O)C1(C2C(C(C(CC2)=C)CCC(C=C)=C)(CCC1)C)C
Compound: (ent-15beta,16beta)-15,16-Epoxy-3-kauranone
SMILES: O1C2C34C(C5(C(CC3)C(C(=O)CC5)(C)C)C)CCC(C12C)C4
Compound: 8(17),12-Labdadiene-15,16-dial
SMILES: O=C\C(=C\CC1C2(C(C(CCC2)(C)C)CCC1=C)C)\CC=O
Compound: Yucalexin A16
SMILES: OC1(CC23C(C4(C(CC2)C(C(=O)CC4)(C)C)C)CC1C=C3)C
Compound: 8,15-Isopimaradien-18-oic acid
SMILES: OC(=O)C1(C2C(C3=C(CC2)CC(CC3)(C)C=C)(CCC1)C)C
Compound: Yucalexin B14
SMILES: OC1C(C2C(C3C4(CC2)CC(C(=O)C3)(C=C4)C)(CC1)C)(C)C
Compound: Siderone
SMILES: O=C1C23C(C4(C(C(CCC4)(CO)C)C1)C)CCC(C2)C(=C3)C
Compound: Oryzalexin S
SMILES: O[C@@H]1C[C@@]2([C@@]34[C@@](CC[C@]2([C@](C1)(CO)C)[H])(C=C([C@@](C3)(CC4)[H])C)[H])C
Compound: 5-dehydro-D-fructose
SMILES: OCC(=O)[C@@H](O)[C@H](O)C(=O)CO
Compound: 7,13-Eperudien-15-oic acid
SMILES: OC(=O)/C=C(\CCC1C2(C(C(CCC2)(C)C)CC=C1C)C)/C
Compound: Junicedral
SMILES: O=CC1(C2C(C(C(CC2)=C)CCC(CC=O)C)(CCC1)C)C
Compound: Copalic acid
SMILES: OC(=O)\C=C(\CC[C@H]1[C@]2([C@@](C(CCC2)(C)C)(CCC1=C)[H])C)/C
Compound: Yucalexin P21
SMILES: OC1C(C2C(C3C(CC2)=CC(C(O)C3)(C)C=C)(CC1)C)(C)C
Compound: ent-17-Hydroxy-16beta-kauran-19-al
SMILES: OCC1C2CC3(C(C4(C(CC3)C(CCC4)(C)C=O)C)CC2)C1
Compound: Sideridiol
SMILES: O[C@@H]1[C@]23[C@]([C@]4([C@@]([C@](CCC4)(CO)C)(C1)[H])C)(CC[C@](C2)(C(=C3)C)[H])[H]
Compound: Cis-8,11,14,17-Eicosatetraenoic acid
SMILES: OC(=O)CCCCCCC=CCC=CCC=CCC=CCC
Compound: Sagittariol
SMILES: OCC=1C2(C(C(C(CC2)C)(CCC(O)(C)C=C)C)CCC1)C
Compound: CPA(18:1(9Z)/0:0)
SMILES: P1(OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)CO1)(O)=O
Compound: CPA(18:1(11Z)/0:0)
SMILES: P1(OC(COC(=O)CCCCCCCCC/C=C\CCCCCC)CO1)(O)=O
Compound: N-acetylneuraminic acid
SMILES: [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO
Compound: LysoPA(18:2(9Z,12Z)/0:0)
SMILES: P(OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: LysoPA(0:0/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CO)(O)(O)=O
Compound: CPA(18:0/0:0)
SMILES: P1(OC(COC(=O)CCCCCCCCCCCCCCCCC)CO1)(O)=O
Compound: LysoPA(0:0/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)CO)(O)(O)=O
Compound: LysoPA(18:0/0:0)
SMILES: P(OCC(O)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: Grifolin
SMILES: OC1=C(C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)C(O)=CC(=C1)C
Compound: Neogrifolin
SMILES: OC1=C(C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)C(=CC(O)=C1)C
Compound: 4,8,12,15,19-Docosapentaenoic acid
SMILES: OC(=O)CC\C=C\CC/C=C/CC/C=C/C\C=C\CC/C=C/CC
Compound: ent-16-Kauren-19-ol acetate
SMILES: O(CC1(C2C(C3C4(CC2)CC(CC3)C(C4)=C)(CCC1)C)C)C(=O)C
Compound: Ethyl abietate
SMILES: O(C(=O)[C@]1([C@]2([C@@]([C@@]3(C(=CC2)C=C(CC3)C(C)C)[H])(CCC1)C)[H])C)CC
Compound: dTMP
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
Compound: LysoPA(20:2(11Z,14Z)/0:0)
SMILES: P(OCC(O)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: 1-(11Z,14Z-eicosadienoyl)-glycero-3-phosphate
SMILES: P(OC[C@H](O)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: LysoPE(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
SMILES: P(OC[C@H](O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: 2-Stearoylglycerophosphoinositol
SMILES: P(OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)CO)(O)=O
Compound: Vignatic acid A
SMILES: O1C(C(NC(=O)C(O)CC(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=C1C=C3)C(O)=O)C(C)C
Compound: PA(18:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(16:1(9Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)(O)=O
Compound: Glycerol 1-(9Z-octadecenoate) 2-tetradecanoate 3-phosphate
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC)(O)(O)=O
Compound: PA(18:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(20:0/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(20:2(11Z,14Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PA(14:0/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(O)(O)=O
Compound: PA(20:1(11Z)/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: PA(18:2(9Z,12Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe2(15:0/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PA(20:1(11Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: PA(20:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PE-NMe2(20:1(11Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: 9-Octadecenoic acid 1-[[(1-oxohexadecyl)oxy]methyl]-2-(phosphonoxy)ethyl ester
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC)(O)(O)=O
Compound: PE-NMe(14:0/22:1(13Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: riboflavin
SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
Compound: PE(14:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE-NMe(16:1(9Z)/20:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE(18:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE-NMe(16:0/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PC(15:0/14:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Compound: PE-NMe(14:1(9Z)/22:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCNC)(O)=O
Compound: PA(20:2(11Z,14Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PA(15:0/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(O)(O)=O
Compound: PE-NMe(18:0/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:0/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: L-methionine S-oxide
SMILES: CS(=O)CC[C@H](N)C(O)=O
Compound: PA(20:1(11Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: PE-NMe(22:1(13Z)/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PA(16:1(9Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)(O)=O
Compound: PE-NMe(22:0/14:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PA(22:4(7Z,10Z,13Z,16Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe(18:1(9Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PA(20:4(5Z,8Z,11Z,14Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe(18:1(11Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PA(18:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: PA(18:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: PE-NMe(20:1(11Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PA(18:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PE-NMe(20:0/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PA(14:0/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(O)(O)=O
Compound: PE(22:1(13Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PA(20:3(8Z,11Z,14Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe2(15:0/22:2(13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PA(18:4(6Z,9Z,12Z,15Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: PE-NMe2(22:2(13Z,16Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PA(20:2(11Z,14Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe(24:1(15Z)/14:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PA(16:1(9Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)(O)=O
Compound: PE-NMe(16:1(9Z)/22:1(13Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PA(16:0/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)(O)=O
Compound: PE-NMe(16:0/22:2(13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PA(22:2(13Z,16Z)/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe(14:1(9Z)/24:1(15Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCNC)(O)=O
Compound: PA(18:0/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PE-NMe(22:2(13Z,16Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PA(18:0/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: (R)-amygdalin
SMILES: C(#N)[C@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO[C@]2([C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[H])C3=CC=CC=C3
Compound: PE-NMe(22:1(13Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PA(14:1(9Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)(O)=O
Compound: PE-NMe(18:2(9Z,12Z)/20:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PA(20:3(8Z,11Z,14Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe(18:1(9Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PA(18:3(9Z,12Z,15Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: PE-NMe(18:1(11Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PA(18:3(6Z,9Z,12Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe(18:0/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PA(20:2(11Z,14Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe(20:2(11Z,14Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PA(16:0/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)(O)=O
Compound: PE-NMe(20:1(11Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PA(22:2(13Z,16Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe(20:1(11Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PA(20:1(11Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: PE-NMe(20:0/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PA(18:2(9Z,12Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PE-NMe2(18:1(11Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PA(14:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(O)(O)=O
Compound: PE-NMe2(14:0/22:1(13Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE(20:2(11Z,14Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE-NMe2(16:1(9Z)/20:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE(18:2(9Z,12Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE-NMe2(16:0/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE(16:1(9Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE-NMe2(14:1(9Z)/22:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN(C)C)(O)=O
Compound: PE(16:1(9Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE-NMe2(18:0/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE(20:1(11Z)/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE-NMe2(18:0/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE(14:1(9Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN)(O)=O
Compound: PE-NMe2(22:1(13Z)/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE(18:1(11Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE-NMe2(22:0/14:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PA(22:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PE-NMe2(20:1(11Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PA(20:1(11Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: PE-NMe2(20:0/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PA(20:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: 2-hydroxyadipic acid
SMILES: OC(CCCC(O)=O)C(O)=O
Compound: PE-NMe2(18:1(9Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE(20:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE-NMe(15:0/22:1(13Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE(16:1(9Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE-NMe(22:1(13Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE(20:1(11Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(22:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(14:1(9Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN)(O)=O
Compound: PE(24:1(15Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(14:0/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(24:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(18:1(11Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE(22:1(13Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(18:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(20:1(11Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PC(16:1(9Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)([O-])=O
Compound: PE(20:0/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PC(15:0/16:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Compound: PE(20:0/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PS(14:0/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: (S)-dihydroorotic acid
SMILES: OC(=O)[C@@H]1CC(=O)NC(=O)N1
Compound: PE(18:1(9Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PS(18:1(11Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PE(18:1(11Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PS(16:0/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PE(18:0/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PS(20:1(11Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PE(16:1(9Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PS(20:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PE(14:1(9Z)/24:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN)(O)=O
Compound: PS(14:1(9Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: progesterone
SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O
Compound: PE(14:0/24:1(15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE-NMe(16:0/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PC(20:1(11Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: PE(20:1(11Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PC(15:0/20:1(11Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Compound: PA(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: DG(i-24:0/0:0/8:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)C[C@@H](O)COC(=O)CCCCCCC
Compound: PA(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: DG(i-24:0/8:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)C[C@@H](OC(=O)CCCCCCC)CO
Compound: PA(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: allysine
SMILES: [H]C(=O)CCCC(N)C(O)=O
Compound: DG(i-22:0/0:0/10:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC(C)C)C[C@@H](O)COC(=O)CCCCCCCCC
Compound: PA(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: DG(i-22:0/10:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC(C)C)C[C@@H](OC(=O)CCCCCCCCC)CO
Compound: PA(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: DG(20:0/0:0/i-12:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCC(C)C
Compound: PA(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: DG(20:0/i-12:0/0:0)
SMILES: O(C(=O)CCCCCCCCC(C)C)[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)CO
Compound: PA(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PA(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: DG(i-20:0/0:0/i-12:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC(C)C)C[C@@H](O)COC(=O)CCCCCCCCC(C)C
Compound: 2-dehydro-3-deoxy-D-galactonic acid
SMILES: OC[C@@H](O)[C@H](O)CC(=O)C(O)=O
Compound: DG(i-20:0/i-12:0/0:0)
SMILES: O(C(=O)CCCCCCCCC(C)C)[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)CO
Compound: PA(18:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: DG(i-20:0/0:0/12:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC(C)C)C[C@@H](O)COC(=O)CCCCCCCCCCC
Compound: PA(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)(O)=O
Compound: DG(i-20:0/12:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC(C)C)C[C@@H](OC(=O)CCCCCCCCCCC)CO
Compound: PA(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: PA(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: DG(20:0/0:0/12:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCCCC
Compound: DG(20:0/12:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCC)CO
Compound: PA(18:2(9Z,12Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PA(18:1(9Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: DG(22:0/0:0/10:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCC
Compound: DG(22:0/10:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC)CO
Compound: PA(20:2(11Z,14Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: DG(19:0/0:0/a-13:0)
SMILES: O(C(=O)CCCCCCCCC(CC)C)C[C@H](O)COC(=O)CCCCCCCCCCCCCCCCCC
Compound: PA(22:4(7Z,10Z,13Z,16Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: DG(19:0/a-13:0/0:0)
SMILES: O(C(=O)CCCCCCCCC(CC)C)[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)CO
Compound: PA(20:4(5Z,8Z,11Z,14Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PA(20:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: DG(19:0/0:0/i-13:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCCC(C)C
Compound: cycloartenol
SMILES: [C@]123[C@@]4([C@](C([C@@H](O)CC4)(C)C)(CC[C@]1([C@]5([C@@]([C@@]([C@@H](CCC=C(C)C)C)(CC5)[H])(CC2)C)C)[H])[H])C3
Compound: DG(19:0/i-13:0/0:0)
SMILES: O(C(=O)CCCCCCCCCC(C)C)[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)CO
Compound: PA(20:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: DG(i-19:0/0:0/i-13:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC(C)C)C[C@@H](O)COC(=O)CCCCCCCCCC(C)C
Compound: PA(20:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: DG(i-19:0/i-13:0/0:0)
SMILES: O(C(=O)CCCCCCCCCC(C)C)[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)CO
Compound: PA(16:0/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(20:3(8Z,11Z,14Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: DG(i-19:0/0:0/a-13:0)
SMILES: O(C(=O)CCCCCCCCC(CC)C)C[C@H](O)COC(=O)CCCCCCCCCCCCCCCC(C)C
Compound: DG(i-19:0/a-13:0/0:0)
SMILES: O(C(=O)CCCCCCCCC(CC)C)[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)CO
Compound: PA(18:4(6Z,9Z,12Z,15Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: chelirubine
SMILES: COc1cc2OCOc2c2c[n+](C)c3c4cc5OCOc5cc4ccc3c12
Compound: DG(i-19:0/0:0/13:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC(C)C)C[C@@H](O)COC(=O)CCCCCCCCCCCC
Compound: PA(18:3(9Z,12Z,15Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: PA(18:3(6Z,9Z,12Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: DG(i-19:0/13:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC(C)C)C[C@@H](OC(=O)CCCCCCCCCCCC)CO
Compound: PE(P-18:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: DG(19:0/0:0/13:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCCCCC
Compound: PE(P-18:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: DG(19:0/13:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCCC)CO
Compound: PE(P-18:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: DG(18:0/0:0/i-14:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCCCC(C)C
Compound: 2-dehydro-3-deoxy-D-gluconic acid
SMILES: OC[C@@H](O)[C@@H](O)CC(=O)C(O)=O
Compound: PE(P-16:0/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: DG(18:0/i-14:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCC(C)C)[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO
Compound: PE(P-18:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: DG(i-18:0/0:0/i-14:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC(C)C)C[C@@H](O)COC(=O)CCCCCCCCCCC(C)C
Compound: PE(P-18:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: DG(i-18:0/i-14:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCC(C)C)[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)CO
Compound: DG(i-18:0/0:0/14:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC(C)C)C[C@@H](O)COC(=O)CCCCCCCCCCCCC
Compound: PE(20:4(8Z,11Z,14Z,17Z)/P-16:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PE(20:4(5Z,8Z,11Z,14Z)/P-16:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: DG(i-18:0/14:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)CO
Compound: biliverdin
SMILES: CC1=C(CCC(O)=O)\C(/N=C1/C=C1NC(=O)C(C=C)=C/1C)=C\c1[nH]c(\C=C2NC(=O)C(C)=C/2C=C)c(C)c1CCC(O)=O
Compound: PE(18:4(6Z,9Z,12Z,15Z)/P-18:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: DG(18:0/0:0/14:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCCCCCC
Compound: DG(16:0/0:0/i-16:0)
SMILES: O(C(=O)CCCCCCCCCCCCC(C)C)C[C@H](O)COC(=O)CCCCCCCCCCCCCCC
Compound: PE(18:3(9Z,12Z,15Z)/P-18:1(9Z))
SMILES: P(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PE(18:3(9Z,12Z,15Z)/P-18:1(11Z))
SMILES: P(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: DG(16:0/i-16:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC(C)C)[C@H](COC(=O)CCCCCCCCCCCCCCC)CO
Compound: DG(i-16:0/0:0/i-16:0)
SMILES: O(C(=O)CCCCCCCCCCCCC(C)C)CC(O)COC(=O)CCCCCCCCCCCCC(C)C
Compound: DG(i-16:0/i-16:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC(C)C)[C@H](COC(=O)CCCCCCCCCCCCC(C)C)CO
Compound: DG(i-16:0/0:0/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCC(C)C)C[C@@H](O)COC(=O)CCCCCCCCCCCCCCC
Compound: DG(i-16:0/16:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCC(C)C)CO
Compound: octadecanal
SMILES: CCCCCCCCCCCCCCCCCC=O
Compound: PE(18:3(6Z,9Z,12Z)/P-18:1(9Z))
SMILES: P(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: DG(a-15:0/0:0/a-17:0)
SMILES: O(C(=O)CCCCCCCCCCC(CC)C)C[C@@H](O)COC(=O)CCCCCCCCCCCCC(CC)C
Compound: PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))
SMILES: P(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: DG(a-15:0/a-17:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC(CC)C)[C@H](COC(=O)CCCCCCCCCCC(CC)C)CO
Compound: PE(22:4(7Z,10Z,13Z,16Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: DG(15:0/0:0/a-17:0)
SMILES: O(C(=O)CCCCCCCCCCCCC(CC)C)C[C@H](O)COC(=O)CCCCCCCCCCCCCC
Compound: PE(20:4(8Z,11Z,14Z,17Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: DG(15:0/a-17:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC(CC)C)[C@H](COC(=O)CCCCCCCCCCCCCC)CO
Compound: PE(20:4(5Z,8Z,11Z,14Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: DG(15:0/0:0/i-17:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC(C)C)C[C@H](O)COC(=O)CCCCCCCCCCCCCC
Compound: PE(20:3(8Z,11Z,14Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: DG(15:0/i-17:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC(C)C)[C@H](COC(=O)CCCCCCCCCCCCCC)CO
Compound: PE(20:3(5Z,8Z,11Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: DG(i-15:0/0:0/i-17:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC(C)C)C[C@H](O)COC(=O)CCCCCCCCCCCC(C)C
Compound: PE(18:4(6Z,9Z,12Z,15Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: DG(i-15:0/i-17:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC(C)C)[C@H](COC(=O)CCCCCCCCCCCC(C)C)CO
Compound: PE(18:3(9Z,12Z,15Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: DG(a-15:0/0:0/17:0)
SMILES: O(C(=O)CCCCCCCCCCC(CC)C)C[C@@H](O)COC(=O)CCCCCCCCCCCCCCCC
Compound: PE(18:3(9Z,12Z,15Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: DG(a-15:0/17:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC(CC)C)CO
Compound: dibenzo[1,4]dioxine-2,3-dione
SMILES: O=c1cc2oc3ccccc3oc2cc1=O
Compound: PE(18:3(6Z,9Z,12Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: DG(i-15:0/0:0/a-17:0)
SMILES: O(C(=O)CCCCCCCCCCCCC(CC)C)C[C@H](O)COC(=O)CCCCCCCCCCCC(C)C
Compound: PE(18:3(6Z,9Z,12Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(18:3(9Z,12Z,15Z)/20:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(18:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(22:2(13Z,16Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(18:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(22:2(13Z,16Z)/16:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PE(18:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(22:2(13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: (19E)-geissoschizine
SMILES: [H][C@@]12C[C@H](\C(=C\O)C(=O)OC)\C(CN1CCC1=C2NC2=CC=CC=C12)=C/C
Compound: PE(18:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE(16:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(16:0/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(20:3n6/14:1(9Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(14:0/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(20:3n6/18:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:3n6/16:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C(COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:2n6/18:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(18:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: fecosterol
SMILES: [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](O)C2
Compound: PC(18:4(6Z,9Z,12Z,15Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Compound: TG(20:2n6/16:1(9Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PC(15:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Compound: TG(20:2n6/18:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:2n6/16:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PA(20:2(11Z,14Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PA(18:1(9Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: TG(20:2n6/16:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: PA(18:0/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: TG(20:2n6/14:0/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: D-glucurono-6,2-lactone
SMILES: [H]C(=O)[C@H]1OC(=O)[C@@H](O)[C@@H](O)[C@@H]1O
Compound: PA(22:2(13Z,16Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(20:2n6/18:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PA(20:1(11Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: TG(18:3(6Z,9Z,12Z)/18:1(9Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PA(20:0/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: TG(18:3(6Z,9Z,12Z)/18:1(11Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PA(20:0/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PA(18:2(9Z,12Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(18:3(6Z,9Z,12Z)/20:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: (carboxymethoxy)succinic acid
SMILES: OC(=O)COC(CC(O)=O)C(O)=O
Compound: PA(16:1(9Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)(O)=O
Compound: TG(18:3(6Z,9Z,12Z)/20:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C(COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PA(20:3(8Z,11Z,14Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(18:3(6Z,9Z,12Z)/18:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PA(18:3(6Z,9Z,12Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(18:2(9Z,12Z)/20:2n6/18:2(9Z,12Z))
SMILES: O(C(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(22:2(13Z,16Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(20:2(11Z,14Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/20:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: (S)-N-methylcoclaurine
SMILES: COc1cc2CCN(C)[C@@H](Cc3ccc(O)cc3)c2cc1O
Compound: PE(22:1(13Z)/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/18:1(11Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(18:2(9Z,12Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/20:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PE(18:1(9Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/18:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PE(18:1(11Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:2(9Z,12Z)/16:0/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(16:1(9Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: tetrachlorohydroquinone
SMILES: Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl
Compound: TG(22:1(13Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PE(20:1(11Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(22:1(13Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PE(14:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(22:1(13Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: PC(18:2(9Z,12Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Compound: TG(24:1(15Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PE-NMe2(16:0/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: TG(22:1(13Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PE(22:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: biphenyl-2-ol
SMILES: Oc1ccccc1-c1ccccc1
Compound: TG(20:3(5Z,8Z,11Z)/18:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(20:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(22:1(13Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(16:1(9Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(16:0/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(20:1(11Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(20:3(5Z,8Z,11Z)/18:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: D-glucitol 6-phosphate
SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
Compound: TG(20:3(5Z,8Z,11Z)/18:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(14:1(9Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN)(O)=O
Compound: PE(14:0/22:1(13Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(20:3(5Z,8Z,11Z)/16:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(18:1(11Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(20:3(5Z,8Z,11Z)/16:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C(COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(18:0/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PC(18:1(9Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: dinitrogen oxide
SMILES: [O-][N+]#N
Compound: PC(18:1(11Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)([O-])=O
Compound: TG(20:1(11Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(20:1(11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PS(22:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(20:1(11Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PS(14:1(9Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(20:1(11Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PS(20:1(11Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(20:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(20:1(11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PS(16:1(9Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(20:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC