anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@]12C[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@]5(C[C@H](C)[C@H](OC(=O)CCC)[C@]5([H])[C@H]3OC(C)=O)OC(C)=O)[C@]4([H])[C@@]1([H])C2(C)C [H][C@]12C[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@]5(C[C@H](C)[C@H](OC(=O)CCC)[C@]5([H])[C@H]3OC(C)=O)OC(C)=O)[C@]4([H])[C@@]1([H])C2(C)C is Euphorbiaproliferin J. It has the role of metabolite .  It is also related to or classified as butyrate ester  . It is also related to or classified as monoterpenoid .
The molecule OC1Oc2cc(O)cc(O)c2C(=O)C1c1ccc(O)cc1 OC1Oc2cc(O)cc(O)c2C(=O)C1c1ccc(O)cc1 is A hydroxyisoflavanone that is 2,3-dihydrogenistein with a hydroxy substituent at position 2. Its functional parent is genistein . It is a conjugate acid of 2-hydroxy-2,3-dihydrogenistein-7-olate . It is also related to or classified as hydroxyisoflavanone .
The molecule COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC(=C(C=C6)O)OC)O)CO)O)O is a trihydroxyflavone that is the 4'''-O-sinapoyl derivative of isoscoparin 2''-O-arabinoside. It has a role as a metabolite. It is a monomethoxyflavone, a trihydroxyflavone, a C-glycosyl compound, a disaccharide derivative and a cinnamate ester. It derives from an isoscoparin and a trans-sinapic acid.
The molecule CCCCCCCCCCCCCC(=O)OC(CO)CO is a 2-monoglyceride where the acyl group is tetradecanoyl (myristoyl). It is a 2-monoglyceride, a monoacylglycerol 14:0 and a tetradecanoate ester.
The molecule [H][C@]12C[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@]5(C[C@H](C)[C@H](OC(=O)CC)[C@]5([H])[C@H]3OC(C)=O)OC(C)=O)[C@]4([H])[C@@]1([H])C2(C)C [H][C@]12C[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@]5(C[C@H](C)[C@H](OC(=O)CC)[C@]5([H])[C@H]3OC(C)=O)OC(C)=O)[C@]4([H])[C@@]1([H])C2(C)C is Euphorbiaproliferin I. It has the role of metabolite . It is also related to or classified as monoterpenoid .
The molecule [C@@]123[C@@](N(C4=C1C=CC(=C4)O)C)([C@]([C@@H]([C@]5([C@@]2(N(CC=C5)CC3)[H])CC)O)(C(=O)OC)O)[H] [C@@]123[C@@](N(C4=C1C=CC(=C4)O)C)([C@]([C@@H]([C@]5([C@@]2(N(CC=C5)CC3)[H])CC)O)(C(=O)OC)O)[H] is A derivative of vindoline lacking the 11-O-methyl and 17-O-acetyl substituents. Its functional parent is vindoline . It is also related to or classified as methyl ester  . It is also related to or classified as tertiary alcohol  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as vinca alkaloid .
The molecule C1CN2CN1CN3CCN(C3)C2 is an azatricycloalkane that is tricyclo(6.2.1.1(3,6))dodecane in which the four bridgehead CH groups are replaced by nitrogen atoms. It is a bridged compound, a tetramine and an azatricycloalkane.
The molecule ClC=C(Cl)Cl ClC=C(Cl)Cl is A member of the class of  chloroethenes that is ethene substituted by chloro groups at positions 1, 1 and 2. It has the role of inhalation anaesthetic . It has the role of mouse metabolite . It is also related to or classified as chloroethenes .
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OCC(O)CO)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OCC(O)CO)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A glycosylglycerol that is 1-O-(alpha-D-glucosyl)glycerol in which the hydroxy group at position 2 of the glucose ring has been converted to the corresponding alpha-D-galactopyranoside. Its functional parent is 1-O-(alpha-D-glucosyl)glycerol . It is also related to or classified as glycosylglycerol .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine; major species at pH 7.3. It is a conjugate base of a 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine.
The molecule [C@H]1(O[C@H](COC(CC(O)=O)=O)[C@@H](OC(=O)CC(=O)O)[C@H](O)[C@H]1O)OC=2C=3C(C=C(O)C2)=[O+]C(=C(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(/C=C/C5=CC=C(C=C5)O)=O)C3)C6=CC=C(O)C=C6 [C@H]1(O[C@H](COC(CC(O)=O)=O)[C@@H](OC(=O)CC(=O)O)[C@H](O)[C@H]1O)OC=2C=3C(C=C(O)C2)=[O+]C(=C(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(/C=C/C5=CC=C(C=C5)O)=O)C3)C6=CC=C(O)C=C6 is an anthocyanin cation that is pelargonidin in which the hydroxy group at position 3 is substituted by a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl group and the hydroxy group at position 5 is substituted by a 4,6-bis-O-(carboxyacetyl)-beta-D-glucopyranosyl group. It has the role of plant metabolite . Its functional parent is pelargonidin . It is also related to or classified as anthocyanin cation  .
The molecule CC(/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\CO CC(/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\CO is 11-cis-retinol. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as retinol  .
The molecule [NH4+].O.[O-]P(=O)([O-])[O-].[Mg+2] is a hydrate that is the monohydrate of ammonium magnesium phosphate. A constituent of urinary calculi. It has a role as a fertilizer. It contains an ammonium magnesium phosphate.
The molecule OC(=O)CC\C=C\C(O)=O OC(=O)CC\C=C\C(O)=O is A 6-carbon, monounsaturated dicarboxylic acid having a trans-double bond at C-2; a possible metabolite of adipic acid. It is also related to or classified as 2-hexenedioic acid  .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CCOCC4 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CCOCC4 is N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-[4-oxanyl(oxo)methyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O is a 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-heptadecanoyl-sn-glycero-3-phosphate. It is a conjugate base of a 1-heptadecanoyl-sn-glycero-3-phosphate.
The molecule [H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(=O)c4ccccc4)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O [H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(=O)c4ccccc4)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O is Euphorbiaproliferin H. It has the role of metabolite . It is also related to or classified as benzoate ester .
The molecule C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=CC=O is an aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxoethylideneamino)uracil. Unstable mucosal-associated invariant T (MAIT)-activating antigen, formed by non-enzymatic reaction between 5-amino-6-D-ribitylaminouracil and glyoxal. It has a role as an antigen.
The molecule [H+].[H+].[H+].[H+].[O-]C(=O)\C=C/C([O-])=O.[O-]C(=O)\C=C/C([O-])=O.CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1 [H+].[H+].[H+].[H+].[O-]C(=O)\C=C/C([O-])=O.[O-]C(=O)\C=C/C([O-])=O.CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1 is thiethylperazine maleate. It has the role of anticoronaviral agent . It is also related to or classified as maleate salt .
The molecule O(C=1C(=C(O)C=C(OC)C1)CO)C O(C=1C(=C(O)C=C(OC)C1)CO)C is 2-(hydroxymethyl)-3,5-dimethoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=C3C=CC(=C4)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O is a ring assembly that consists of robinetinidol attached to a gallocatechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii. It has a role as a metabolite. It is a catechin and a ring assembly. It derives from a robinetinidol and a gallocatechin.
The molecule [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O is Euphorbiaproliferin G. It has the role of metabolite . It is also related to or classified as oxolanes .
The molecule C1=C(C(=O)OC1(CC(=O)[O-])Cl)Cl is the conjugate base of 2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetic acid; major species at pH 7.3. It is a monocarboxylic acid anion and an organochlorine compound. It derives from a but-2-en-4-olide. It is a conjugate base of a 2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetic acid.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)O[C@H]1C[C@@]2([C@@H]3[C@@H](CC[C@@]2(C[C@H]1OC(=O)C)O)[C@]4(CC[C@@H]([C@]4(C(=O)[C@H]3O)C)C5=COC(=O)C=C5)O)C is a defensive steroid lactone that is produced by males of the species Photinus pyralis. It is a 5beta-hydroxy steroid, a steroid ester, a 14beta-hydroxy steroid, an 11alpha-hydroxy steroid, a 12-oxo steroid, a member of 2-pyranones, a steroid lactone and a secondary alpha-hydroxy ketone. It derives from a hydride of a 5beta-bufanolide.
The molecule C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OCO4)[C@H](O1)C6=CC7=C(C=C6)OCO7 is a beta-D-glucoside that is sesaminol in which the hydroxy group at position 5 is substituted by a beta-D-glucopyranoside group. A metabolite found in sesame seeds. It has a role as a plant metabolite. It is a beta-D-glucoside, a furofuran and a member of benzodioxoles. It derives from a sesaminol.
The molecule [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O is Euphorbiaproliferin F. It has the role of metabolite . It is also related to or classified as benzoate ester .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC is (3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@]5(O4)C[C@@H](CO5)O)C)C)O)C)O[C@H]6C[C@@H]7[C@]([C@@H](C[C@@H]8[C@@H](O7)C/C=C\\C[C@@H]9[C@@H](O8)C=C[C@@H]2[C@@H](O9)C=C[C@@H]3[C@@H](O2)C[C@@H]2[C@@H](O3)[C@@H]([C@@H]3[C@@H](O2)CC=C[C@@H](O3)/C=C/[C@@H](CO)O)O)O)(O[C@@H]6C1)C is a ciguatoxin comprising a sequence of twelve trans-fused six-, seven-, eight- and nine-membered rings and a spiro-fused five-membered ring. A commonly encountered fish toxin. It has a role as a metabolite.
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)C is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCC(=O)OC\C=C(C)\C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C CCCCCCCCCCCCCCCC(=O)OC\C=C(C)\C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C is the 11-cis-isomer of retinyl palmitate. It has the role of human metabolite . Its functional parent is 11-cis-retinol .  It is also related to or classified as 11-cis-retinyl ester  . It is also related to or classified as retinyl palmitate .
The molecule C1=CC(=C(C(=C1)Cl)C(=O)O)Cl is a chlorobenzoic acid carrying two chloro groups at positions 2 and 6 respectively. It has a role as a bacterial xenobiotic metabolite. It is a chlorobenzoic acid and a dichlorobenzene. It derives from a benzoic acid. It is a conjugate acid of a 2,6-dichlorobenzoate.
The molecule [H][C@@]12C[C@](C)(OC(C)=O)[C@]1([H])[C@@]1([H])[C@@]3(C)OC[C@@]1([C@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@H](C)C[C@]1(O)[C@H]3OC(=O)c1ccccc1)C(=O)[C@@H]2OC(=O)c1ccccc1 [H][C@@]12C[C@](C)(OC(C)=O)[C@]1([H])[C@@]1([H])[C@@]3(C)OC[C@@]1([C@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@H](C)C[C@]1(O)[C@H]3OC(=O)c1ccccc1)C(=O)[C@@H]2OC(=O)c1ccccc1 is Euphorbiaproliferin E. It has the role of metabolite . It is also related to or classified as benzoate ester .
The molecule C/C(=C\\C=C\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C(=O)C(C)(C)OC)/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C(C(C)(C)OC)O is a carotenoid ether that is spirilloxanthin substituted at positions 2 and 2' by oxo and hydroxy groups respectively. It is a carotenone, a carotenoid ether and a carotenol. It derives from a spirilloxanthin.
The molecule [H]C1=C([H])C(C)(C)CC=C(C)CCC=C(C)C1 [H]C1=C([H])C(C)(C)CC=C(C)CCC=C(C)C1 is alpha-humulene. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as humulene .
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CCC)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CCC)C)OC)C is N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](CO)O is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. It is a conjugate base of a N-oleoyl-sn-glycero-3-phosphoethanolamine.
The molecule [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@@]3([C@@H]2OC(C)=O)C(=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@@]3([C@@H]2OC(C)=O)C(=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O is Euphorbiaproliferin D. It has the role of metabolite . It is also related to or classified as benzoate ester .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC(=O)O is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and succinyl respectively. It is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine and a hemisuccinate. It derives from a succinic acid. It is a conjugate acid of a 1-hexadecyl-2-succinyl-sn-glycero-3-phosphocholine(1-).
The molecule CCCCCCCCCCCC(O)CC(=O)O[C@@H]1[C@@H]([NH3+])C(O[C@H](CO)[C@H]1O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CCCCCCCCCCCC(O)CC(=O)O[C@@H]1[C@@H]([NH3+])C(O[C@H](CO)[C@H]1O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is A nucleotide-sugar oxoanion that is the conjugate base of UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine, having an  anionic diphosphate function and a protonated primary amino group. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule O(C1=C(C(O)=C(C(O)=C1O)C)C)C O(C1=C(C(O)=C(C(O)=C1O)C)C)C is 6-methoxy-3,5-dimethylbenzene-1,2,4-triol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule O[C@@]1([C@]2([C@@]3([C@@](C(C(C)C([C@H]3O)=O)[H])(O[C@@]1([C@H](O)C2)[H])[H])CO)C)CSC[C@H](N)C(O)=O O[C@@]1([C@]2([C@@]3([C@@](C(C(C)C([C@H]3O)=O)[H])(O[C@@]1([C@H](O)C2)[H])[H])CO)C)CSC[C@H](N)C(O)=O is DON-13-S-cysteine. Its functional parent is deoxynivalenol . Its functional parent is L-cysteine . It is also related to or classified as trichothecene  .
The molecule C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C is a member of the class of rifamycins that is a a semisynthetic antibiotic derived from Amycolatopsis rifamycinica (previously known as Amycolatopsis mediterranei and Streptomyces mediterranei) It has a role as an EC 2.7.7.6 (RNA polymerase) inhibitor, a DNA synthesis inhibitor, an antitubercular agent, a leprostatic drug, an Escherichia coli metabolite, a protein synthesis inhibitor, a neuroprotective agent, an angiogenesis inhibitor, a pregnane X receptor agonist and an antineoplastic agent. It is a N-iminopiperazine, a N-methylpiperazine, a hydrazone, a cyclic ketal, a semisynthetic derivative and a member of rifamycins. It is a tautomer of a rifampicin zwitterion.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)[O-] is a UDP-N-acetyl-3-O-(1-carboxylatovinyl)-D-glucosamine(3-) in which the anomeric centre of the glucosamine fragment has alpha-configuration. It is a conjugate base of an UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine.
The molecule [H][C@]12[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@@]3([C@@H]2OC(C)=O)C(=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O [H][C@]12[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@@]3([C@@H]2OC(C)=O)C(=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O is Euphorbiaproliferin C. It has the role of metabolite . It is also related to or classified as oxolanes .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)OC[C@H](COP(=O)(O)OCCN)O is a 1-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl. It has a role as a metabolite. It is a 1-acyl-sn-glycero-3-phosphoethanolamine and a lysophosphatidylethanolamine 22:6. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
The molecule [O-]C(=O)CC[c-]1[nH]c[nH+]c1=O [O-]C(=O)CC[c-]1[nH]c[nH+]c1=O is A monocarboxylic acid anion that is the conjugate base of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide . It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=CC(=O)C2=C(C=C3C=C(C(=C(C3=C2O1)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)CC(O5)(C)O)OC)O is a dimeric naphthopyran with formula C32H28O11, originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite and an antibacterial agent. It is a biaryl, an aromatic ether, an aromatic ketone, a cyclic hemiketal, a cyclic ketone, a polyphenol and a naphtho-gamma-pyrone.
The molecule [H][C@]12[C@@H](OC(=O)CCC)[C@@](C)(C[C@]1(OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1 [H][C@]12[C@@H](OC(=O)CCC)[C@@](C)(C[C@]1(OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1 is Euphorbiaproliferin B, (rel)-. It has the role of metabolite .  It is also related to or classified as butyrate ester  . It is also related to or classified as benzoate ester .
The molecule CC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N)O)O is an N(6')-acetylkanamycin derived from kanamycin B. It derives from a kanamycin B. It is a conjugate base of a N(6')-acetylkanamycin B(4+).
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C is 2-methoxy-N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C/C=C\\1/C[C@H]([C@@](C(=O)OCC2=CC[NH+]3[C@H]2[C@@H](CC3)OC1=O)(C)O)C is an organic cation obtained by protonation of the tertiary amino group of senecionine; major structure at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a senecionine.
The molecule C1CC(=[N+](C1)CC2=C(C(=O)NC(=O)N2)Cl)N is a carboxamidinium ion obtained by protonation of the amidine function of tipiracil. It is a conjugate acid of a tipiracil.
The molecule [H][C@]12[C@@H](OC(=O)CC)[C@@](C)(C[C@]1(OC(C)=O)[C@H](OC(=O)C(C)C)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O)[C@@H]2OC(C)=O)OC(=O)C(C)C [H][C@]12[C@@H](OC(=O)CC)[C@@](C)(C[C@]1(OC(C)=O)[C@H](OC(=O)C(C)C)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O)[C@@H]2OC(C)=O)OC(=O)C(C)C is Euphorbiaproliferin A, (rel)-. It has the role of metabolite . It is also related to or classified as carbonyl compound .
The molecule C#C[C@H]([C@@H](C(=O)O)N)O is a non-proteinogenic L-alpha-amino acid that is L-propargylglycine which is carrying a hydroxy group at the 3R position. It has a role as an antimetabolite, an antibacterial agent, a bacterial metabolite and a fungal metabolite. It is a terminal acetylenic compound and a non-proteinogenic L-alpha-amino acid. It derives from a L-propargylglycine. It is a tautomer of a L-beta-ethynylserine zwitterion.
The molecule [O-]C(=O)C(\Cl)=C/C=C(/Cl)C([O-])=O [O-]C(=O)C(\Cl)=C/C=C(/Cl)C([O-])=O is 2,5-dichloro-cis,cis-muconate(2-). Its functional parent is cis,cis-muconate . It is also related to or classified as 2,5-dichloromuconate(2-)  .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO is A mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is progesterone . It is also related to or classified as primary alpha-hydroxy ketone  .    It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as mineralocorticoid , 21-hydroxy steroid , 20-oxo steroid .
The molecule O(C1=C(C(O)=C(C(O)=C1)C)CO)C O(C1=C(C(O)=C(C(O)=C1)C)CO)C is 4-(hydroxymethyl)-5-methoxy-2-methylbenzene-1,3-diol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C(CCNC(=O)CC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N is an N(6)-acyl-L-lysine derivative in which the acyl group is specified as gamma-glutamyl. It is a tautomer of an epsilon-(gamma-glutamyl)lysine dizwitterion.
The molecule OC[C@@H]1COC(=N1)c1ccccc1O OC[C@@H]1COC(=N1)c1ccccc1O is Nocazoline A. It has the role of metabolite . It is also related to or classified as phenols  .
The molecule C1=CC=C(C=C1)CCC(=O)O is a monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. It has a role as an antifungal agent, a human metabolite and a plant metabolite. It is a monocarboxylic acid and a member of benzenes. It derives from a propionic acid. It is a conjugate acid of a 3-phenylpropionate.