anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C)C(C)C CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C)C(C)C is A trimeric cyclodepsipeptide composed from alternating methylphenylalanyl and hydroxyvaleryl residues. It has the role of ionophore . It has the role of mycotoxin . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of antibiotic insecticide . It has the role of P450 inhibitor . It has the role of apoptosis inhibitor . It has the role of fungal metabolite . It is also related to or classified as cyclodepsipeptide  .
The molecule FCCCCCCCCCCCCCC(O)=O FCCCCCCCCCCCCCC(O)=O is 14-fluoro-myristic acid. It is also related to or classified as long-chain fatty acid  . It is also related to or classified as fluoro fatty acid .
The molecule CC/C=C\\C[C@@H](/C=C/C=C\\C=C\\[C@H](C/C=C\\C/C=C\\CCC(=O)O)O)O is a dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13Z,15E,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10S,17S-stereoisomer). A natural isomer of protectin D1, one of the specialised proresolving mediators. It has a role as an anti-inflammatory agent and a human xenobiotic metabolite. It is a dihydroxydocosahexaenoic acid and a secondary allylic alcohol.
The molecule O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)O[C@@H]2[C@@H](NC(=O)C)C(O[C@@H]([C@@H]2O)CO)O)[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]3O)CO O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)O[C@@H]2[C@@H](NC(=O)C)C(O[C@@H]([C@@H]2O)CO)O)[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]3O)CO is an amino tetrasaccharide consisting of 2-acetamido-2-deoxy-alpha-D-galactopyranosyl, beta-D-galactopyranosyl, 2-acetamido-2-deoxy-beta-D-glucopyranosyl and 2-acetamido-2-deoxy-D-galactopyranoyl residues joined in sequence by (1->3) glycosidic linkages. It is also related to or classified as acetamides , amino tetrasaccharide .
The molecule O[N+]([O-])=O.Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1 O[N+]([O-])=O.Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1 is an organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid.  An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans. It is also related to or classified as aryl sulfide , organic nitrate salt , imidazole antifungal drug , conazole antifungal drug , imidazoles .
The molecule CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)CC(=O)NCC5CCCCC5 CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)CC(=O)NCC5CCCCC5 is N-[(2R,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule OC(=O)CCCCCCCCCCCCCC([2H])([2H])[2H] OC(=O)CCCCCCCCCCCCCC([2H])([2H])[2H] is Pentadecylic acid(d3). It is also related to or classified as long-chain fatty acid  . It is also related to or classified as deuterated fatty acid .
The molecule CCCCCCCCOS(=O)(=O)O is an alkyl sulfate that is the sulfuric ester of octan-1-ol. It has a role as a Daphnia pulex metabolite and a kairomone. It derives from an octan-1-ol. It is a conjugate acid of a n-octyl sulfate.
The molecule CC1=NN(C(=C1C=NNC(=O)CNC2=CC=CC=C2F)Cl)CC3=CC=C(C=C3)Cl CC1=NN(C(=C1C=NNC(=O)CNC2=CC=CC=C2F)Cl)CC3=CC=C(C=C3)Cl is N-[[5-chloro-1-[(4-chlorophenyl)methyl]-3-methyl-4-pyrazolyl]methylideneamino]-2-(2-fluoroanilino)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCC/C=C\\CCCCCCCC)O is a beta-D-galactosyl-(1<->1')-N-acylsphinganine in which the acyl group specified is (17Z)-hexacosenoyl. It has a role as a mouse metabolite. It derives from a (17Z)-hexacosenoic acid.
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H]1OCC(O)CO)CO O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H]1OCC(O)CO)CO is A galactosylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding alpha-D-galactopyranoside. Its functional parent is glycerol .  It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as galactosylglycerol .
The molecule NCc1ccccc1 NCc1ccccc1 is A primary amine compound having benzyl as the N-substituent. It has been isolated from  Moringa oleifera (horseradish tree). It has the role of allergen . It has the role of plant metabolite . It has the role of EC 3.5.5.1 (nitrilase) inhibitor . It is also related to or classified as aralkylamine  . It is also related to or classified as primary amine  .
The molecule C(OC(CCCCCCCC/C=C\CCCCCC)=O)[C@@H](CO)OC(CCCCCCCC/C=C\CCCCCC)=O C(OC(CCCCCCCC/C=C\CCCCCC)=O)[C@@H](CO)OC(CCCCCCCC/C=C\CCCCCC)=O is 2,3-di-(10Z-heptadecenoyl)-sn-glycerol. It is also related to or classified as di(10Z)-heptadecenoylglycerol  . It is also related to or classified as 2,3-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 34:2  .
The molecule C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4)F C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4)F is 2-fluoro-N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC is LSM-14351. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [O-]C(CCCCC/C=C\C/C=C\C/C=C\CC)=O [O-]C(CCCCC/C=C\C/C=C\C/C=C\CC)=O is A hexadecatrienoate that is the conjugate base of (7Z,10Z,13Z)-hexadecatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hexadecatrienoate  .
The molecule CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(C4=CC=C(C=C4)O)O)O is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxy-3-(4-hydroxyphenyl)propionyl-CoA; major species at pH 7.3. It is a conjugate base of a 3-hydroxy-3-(4-hydroxyphenyl)propionyl-CoA.
The molecule C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C is 3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is (7Z,10Z,13Z)-hexadecatrienoyl-CoA(4-). Its functional parent is (7Z,10Z,13Z)-hexadecatrienoate . It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  .
The molecule CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)C)C is a steroid ester that is the 3,12-diacetyl derivative of digoxigenin. It is a 14beta-hydroxy steroid and a steroid ester. It derives from a digoxigenin.
The molecule [H]C(=O)C(O)c1ccc(O)c(O)c1 [H]C(=O)C(O)c1ccc(O)c(O)c1 is A hydroxyaldehyde consisting of phenylacetaldehyde having three hydroxy substituents located at the alpha-, 3- and 4-positions. It is a metabolite of noradrenaline. It has the role of neurotoxin . It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as catechols  . It is also related to or classified as hydroxyaldehyde  .
The molecule C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)F C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)F is 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as pyrazines .
The molecule CC\C=C/C=C/C=C/C=C\CCCCCCCC(O)=O CC\C=C/C=C/C=C/C=C\CCCCCCCC(O)=O is the (9Z,11E,13E,15Z)-isomer of parinaric acid. It is a conjugate acid of cis-parinarate . It is also related to or classified as parinaric acid  .
The molecule CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CC3=CC=C(C=C3)O)C(=O)O)C is penicillanic acid carrying a (p-hydroxybenzylidene)amino substituent at the 6beta position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk. It has a role as a hapten.
The molecule O(C/C=C(\CC/C=C(/C)\CC/C=C(\CCC=C(C)C)/C)/C)P(OP(=O)(O)O)(=O)O O(C/C=C(\CC/C=C(/C)\CC/C=C(\CCC=C(C)C)/C)/C)P(OP(=O)(O)O)(=O)O is A polyprenol diphosphate having (Z,Z,Z)-geranylgeraniyl (nerylneryl) as the polyprenyl component. Its functional parent is (Z,Z,Z)-geranylgeraniol . It is a conjugate acid of nerylneryl diphosphate(3-) . It is also related to or classified as geranylgeranyl diphosphate  .
The molecule CCCC1=CC(=NO1)C(=O)NC2CCCCC2 CCCC1=CC(=NO1)C(=O)NC2CCCCC2 is N-cyclohexyl-5-propyl-3-isoxazolecarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule O1C(C(O)C(O)C(O)C1OC=2C(=C(O)C=C(C2)/C=C/C3=CC(O)=C(O)C=C3)/C=C/C(C)=C)C(O)=O O1C(C(O)C(O)C(O)C1OC=2C(=C(O)C=C(C2)/C=C/C3=CC(O)=C(O)C=C3)/C=C/C(C)=C)C(O)=O is 6-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dien-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule N[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O N[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O is A L-phenylalanine derivative that is L-phenylalanine substituted by a phenyl group at position 4 of the phenyl ring. It is also related to or classified as benzenes , biphenyls , L-phenylalanine derivative .
The molecule C(CC(=O)O)CN=C(N)N is the 4-guanidino derivative of butanoic acid. It has a role as a fungal metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It derives from a butyric acid. It is a conjugate acid of a 4-guanidinobutanoate. It is a tautomer of a 4-guanidinobutanoic acid zwitterion.
The molecule C=1(C=C(C(=CC1)O[SiH3])[N+]([O-])=O)N(C(C)=O)[SiH3] C=1(C=C(C(=CC1)O[SiH3])[N+]([O-])=O)N(C(C)=O)[SiH3] is an acetamide that is acetaminophen (paracetamol) substituted on the phenolic oxygen and the amido nitrogen with trimethylsilyl groups. Its functional parent is paracetamol . It is also related to or classified as acetamides .
The molecule CC\C=C/C=C/C=C/C=C\CCCCCCCC([O-])=O CC\C=C/C=C/C=C/C=C\CCCCCCCC([O-])=O is A straight-chain, unsaturated, long-chain fatty acid anion that is the conjugate base of cis-parinaric acid, arising from deprotonation of the carboxylic acid group. It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as straight-chain fatty acid anion , polyunsaturated fatty acid anion .
The molecule C[C@](O)(CCO)CC(O)=O C[C@](O)(CCO)CC(O)=O is the (S)-enantiomer of mevalonic acid. It is a conjugate acid of (S)-mevalonate . It is also related to or classified as 3,5-dihydroxy-3-methylpentanoic acid  .
The molecule O([C@@H]1[C@H](O[C@@H](O)[C@H](O)[C@H]1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@@H]1[C@H](O[C@@H](O)[C@H](O)[C@H]1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A alpha-D-Glcp-(1->4)-[alpha-D-Glcp-(1->6)]-D-Glcp which has beta- configuration at the anomeric carbon. Its functional parent is beta-maltose . It is also related to or classified as alpha-D-Glcp-(1->4)-[alpha-D-Glcp-(1->6)]-D-Glcp  .
The molecule C1CC(C(CC1C2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)NCCOCCN is a member of the class of benzamides in which benzamide is substituted on nitrogen by a 2-(2-aminoethoxy)ethyl group and at the para-position by a 2-hydroxy-4-phenylcyclohexyl group. It is an ether and a member of benzamides. It derives from a benzamide.
The molecule S(C1=CC=C(C=C1)NC(=O)C)(C2=CC=C(C=C2)N)(=O)=O S(C1=CC=C(C=C1)NC(=O)C)(C2=CC=C(C=C2)N)(=O)=O is A secondary carboxamide resulting from acetylation of one of the amino groups of dapsone. Its functional parent is dapsone . It is also related to or classified as anilide  . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as sulfone  . It is also related to or classified as acetamides .
The molecule C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [NH2+]1[C@@H](C2=C(CC1)C=C(C(=C2)OC)O)CC3=CC(=C(C=C3)OC)O [NH2+]1[C@@H](C2=C(CC1)C=C(C(=C2)OC)O)CC3=CC(=C(C=C3)OC)O is major species at pH 7.3. It is also related to or classified as ammonium ion derivative .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the phosphatidyl acyl groups at positions 1 and 2 are stearoyl and oleoyl respectively. It is a conjugate acid of a 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine.
The molecule C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C=C3)O)O)O C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C=C3)O)O)O is A chromenol that is 2-(4-hydroxyphenyl)-4H-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7. It is a conjugate acid of (4S)-2,3-dehydroleucopelargonidin(1-) . It is also related to or classified as secondary allylic alcohol  .  It is also related to or classified as enol  . It is also related to or classified as polyphenol , chromenol .
The molecule CC(O)(CCO)CC(O)=O CC(O)(CCO)CC(O)=O is A dihydroxy monocarboxylic acid comprising valeric acid having two hydroxy groups at the 3- and 5-positions together with a methyl group at the 3-position. Its functional parent is valeric acid . It is a conjugate acid of 3,5-dihydroxy-3-methylpentanoate . It is also related to or classified as dihydroxy monocarboxylic acid .
The molecule CCC(=O)NNC(=O)c1ccccc1O CCC(=O)NNC(=O)c1ccccc1O is 2-hydroxy-N'-propionylbenzohydrazide. Its functional parent is benzohydrazide . It is also related to or classified as carbohydrazide  .
The molecule CCCCCCCC/C=C\\CCCCCCCCCC(=O)N is a primary fatty amide resulting from the formal condensation of the carboxy group of (11Z)-icos-11-enoic acid with ammonia. It has a role as a human metabolite. It derives from an (11Z)-icos-11-enoic acid.
The molecule C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C(=C3)O)O)O)O C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C(=C3)O)O)O)O is A chromenol that is 2-(3,4-dihydroxyphenyl)-4H-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7. It is a conjugate acid of (4S)-2,3-dehydroleucocyanidin(1-) . It is also related to or classified as secondary allylic alcohol  .  It is also related to or classified as enol  . It is also related to or classified as polyphenol , chromenol .
The molecule C[C@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C C[C@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C is LSM-13412. 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=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC(=CC=C3)F C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC(=CC=C3)F is N-[(5R,6S,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(CCCCCCCCCCCC)CCCCCCCCC(O)=O O=C(CCCCCCCCCCCC)CCCCCCCCC(O)=O is 10-oxo-docosanoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)O is a very long-chain omega-6 fatty acid that is hexacosanoic acid containing five double bonds located at positions 8, 11, 14, 17 and 20 (the 8Z,11Z,14Z,17Z,20Z-isomer). It is an omega-6 fatty acid and a hexacosapentaenoic acid. It is a conjugate acid of an (8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoate.
The molecule C1(COC(C1COC2OC(C(O)C(O)C2O)CO)C=3C=CC(=C(C3)OC)O)CC=4C=C(C(=CC4)O)OC C1(COC(C1COC2OC(C(O)C(O)C2O)CO)C=3C=CC(=C(C3)OC)O)CC=4C=C(C(=CC4)O)OC is [4-(4-hydroxy-3-methoxybenzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule C1CN2C=C(N=C2OC1)[N+](=O)[O-] is a member of the class of imidazo[2,1-b][1,3]oxazines in which the hydrogen at position 2 is substituted by a nitro group and in which the oxazine ring is fully saturated. It is a C-nitro compound, a member of imidazo[2,1-b][1,3]oxazines and a bicyclic nitroimidazole.
The molecule O1C(C2C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4 O1C(C2C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4 is 4-[4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule [C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)OC(\C=C\C=2C=CC(=C(C2)OC)O)=O [C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)OC(\C=C\C=2C=CC(=C(C2)OC)O)=O is major species at pH 7.3. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as phenols  .
The molecule CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CCC=C)C#N CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CCC=C)C#N is 5-acetyloxy-6-bromo-2-[[(6-but-3-enyl-3-cyano-2-pyridinyl)thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester. It is also related to or classified as indolyl carboxylic acid .
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)O)C is an oxysterol that is cholesterol carrying two additional hydroxy groups at the 4beta and 7alpha positions. It has a role as a human xenobiotic metabolite. It is an oxysterol, a 7alpha-hydroxy steroid, a triol, a 3beta-sterol, a 4-hydroxy steroid and a 3beta-hydroxy-Delta(5)-steroid.
The molecule OC1=C(C=C(C2=C(C(C3=C(C=C(C=C3O2)O)O)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C=C1)O OC1=C(C=C(C2=C(C(C3=C(C=C(C=C3O2)O)O)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C=C1)O is 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule S(C1=CC=CC=C1C=NO)(C=2C=CC=CC2)(=O)=O S(C1=CC=CC=C1C=NO)(C=2C=CC=CC2)(=O)=O is 2-(benzenesulfonyl)benzaldehyde oxime. It is also related to or classified as aldoxime  . It is also related to or classified as sulfone  .
The molecule OC(=O)CC/C=C/C/C=C/C/C=C\C/C=C/C/C=C/C/C=C/CC OC(=O)CC/C=C/C/C=C/C/C=C\C/C=C/C/C=C/C/C=C/CC is (4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule O(CC(C(CC1=CC(OC)=C(O)C(OC)=C1)CO)CC2=CC(OC)=C(O)C(OC)=C2)C3OCC(O)C(O)C3O O(CC(C(CC1=CC(OC)=C(O)C(OC)=C1)CO)CC2=CC(OC)=C(O)C(OC)=C2)C3OCC(O)C(O)C3O is Ssioriside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule CC1C(NC(=O)N1)CCCCCC(=O)[O-] is conjugate base of dethiobiotin; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a dethiobiotin.
The molecule S(C1=CC=C(C=C1)N=O)(C2=CC=C(C=C2)N)(=O)=O S(C1=CC=C(C=C1)N=O)(C2=CC=C(C=C2)N)(=O)=O is A sulfone that is a metabolite of dapsone in which one of the amino groups of dapsone has been oxidized to a nitroso group. Its functional parent is dapsone .  It is also related to or classified as sulfone  . It is also related to or classified as nitroso compound .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4 is N-[(5S,6R,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Oc1ccc(cc1)\C=C1OC(=O)C(=C/1[O-])c1ccc(O)cc1 Oc1ccc(cc1)\C=C1OC(=O)C(=C/1[O-])c1ccc(O)cc1 is an organic anion that is the conjugate base of aspulvinone E, arising from selective deprotonation of the butenolide OH group; major species at pH 7.3. It is also related to or classified as organic anion .
The molecule CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6 CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6 is N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc([O-])cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc([O-])cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is the conjugate base of pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside; major species at pH 7.3. It is also related to or classified as oxonium betaine .
The molecule CC1=CC(=CC=C1)C(=O)[O-] is a toluate that is the conjugate base of m-toluic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of a m-toluic acid.
The molecule C1(OC2C(C(C(C(O2)C)O)O)O)=CC(=C3C(=C1)OC(=C(C3=O)OC4C(C(C(CO4)O)O)O)C5=CC=C(O)C=C5)O C1(OC2C(C(C(C(O2)C)O)O)O)=CC(=C3C(=C1)OC(=C(C3=O)OC4C(C(C(CO4)O)O)O)C5=CC=C(O)C=C5)O is 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-(pentopyranosyloxy)-4H-chromen-7-yl 6-deoxyhexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3 CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3 is 2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .