anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)NC1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3 CC(=O)NC1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3 is N-[4-[[1-(2-furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]phenyl]acetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N/C(=C\\C)/C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)CC)[C@@H](C)O)CC(C)C)CCCN=C(N)N)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)OC(=O)C)C(C)C)CC3=CC=CC=C3 is a homodetic cyclic peptide isolated from the culture medium of the cyanobacterium Tolypothrix byssoidea. It has a role as a bacterial metabolite and an antifungal agent.
The molecule C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@]4(C)C=O)O)C)C is a 3beta-hydroxy-4beta-formyl-4alpha-methylsteroid resulting from the formal oxidation of the 4beta-hydroxymethyl group of 4beta-hydroxymethyl-4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol to the corresponding formyl group. It derives from a 4beta-hydroxymethyl-4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol.
The molecule CC(C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C CC(C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C is Veraguamide H, (rel)-. It has the role of metabolite . It is also related to or classified as cyclodepsipeptide  .
The molecule [Eu] [Eu] is europium atom. It is also related to or classified as lanthanoid atom  . It is also related to or classified as f-block element atom .
The molecule C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3CCCCC3)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3CCCCC3)C(=O)N(C[C@H]1OC)C)C is N-[(4S,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]cyclohexanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule S1SC23N(C4C(C2)=COC=CC4O)C(=O)C15N(C6C(C5)=COC=CC6OC(=O)C)C3=O S1SC23N(C4C(C2)=COC=CC4O)C(=O)C15N(C6C(C5)=COC=CC6OC(=O)C)C3=O is A 21101-IL.  It is also related to or classified as organic disulfide  .  It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as indoles , organic heteropentacyclic compound .
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)C=C)O is the S-acryloyl derivative of coenzyme A. It has a role as a mouse metabolite. It is a 2-enoyl-CoA and a monounsaturated fatty acyl-CoA. It derives from a coenzyme A and an acrylic acid. It is a conjugate acid of an acryloyl-CoA(4-).
The molecule CC(=O)N(CCC[C@@H](C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@@H]([C@@H]1[C@@H]([C@H]([C@@H](S1)N2C=CC(=O)N(C2=O)C)O)O)O)C(=O)O)N)O is a member of the class of desferrialbomycins in which the pyrimidone moiety is substituted by an oxo group at position 4. The iron(III) complex of desferrialbomycin delta1 is the antibiotic albomycin delta1. It is a conjugate acid of a desferrialbomycin delta1(3-).
The molecule C[C@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CC1=C(O)C(=O)C=C(NCCC(O)=O)C1=O C[C@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CC1=C(O)C(=O)C=C(NCCC(O)=O)C1=O is A  sesquiterpenoid isolated from the marine sponge Dactylospongia elegans. It has the role of animal metabolite . It has the role of marine metabolite .    It is also related to or classified as monohydroxy-1,4-benzoquinones  . It is also related to or classified as enol  . It is also related to or classified as monocarboxylic acid , sesquiterpenoid , beta-amino acid .
The molecule CC1=CC(=NN1)NC(=O)NC(=O)C2=C(C=C(C=C2)F)F CC1=CC(=NN1)NC(=O)NC(=O)C2=C(C=C(C=C2)F)F is 2,4-difluoro-N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]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]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C is N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 is A tryptamine derivative that consists of serotonin bearing an additional O-nonyl substituent. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold). It has the role of serotonergic agonist . Its functional parent is serotonin . It is also related to or classified as tryptamines , aromatic ether , primary amino compound .
The molecule COC1=CC(=C(C=C1CCCC2=CC(=C(C=C2)O)OC)OC)O is a dimethoxybenzene that is 2,5-dimethoxyphenol substituted by a 3-(4-hydroxy-3-methoxyphenyl)propyl group at position 4. It has been isolated from the stems of Combretum griffithii and has been shown to exhibit anticancer activity. It has a role as a plant metabolite and an antineoplastic agent. It is a polyphenol and a dimethoxybenzene.
The molecule CC1=CC(=C(N1C(C)C)C)C=C2C(=O)N(C(=O)S2)C(C)C(=O)OC CC1=CC(=C(N1C(C)C)C)C=C2C(=O)N(C(=O)S2)C(C)C(=O)OC is 2-[5-[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methylidene]-2,4-dioxo-3-thiazolidinyl]propanoic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)NC(=O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)NC(=O)C)O)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)NC(=O)C)O[C@@H]9[C@H](OC([C@@H]([C@H]9O)NC(=O)C)O)CO)CO)CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)CO)O)O is an amino oligosaccharide that is a dodecasaccharide derivative consisting of a tetrasaccharide chain of N-acetyl-beta-D-glucosamine, beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues, all linked sequentially (1->4), to the beta-D-mannose residue of which are also linked beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl and beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)]-alpha-D-mannosyl units via (1->6) and (1->3) linkages respectively. It is an amino oligosaccharide and a glucosamine oligosaccharide.
The molecule CCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O is a saturated fatty acyl-CoA(4-) obtaned by deprotonation of phosphate and diphosphate functions of tricosanoyl-CoA; major species at pH 7.3. It is a conjugate base of a tricosanoyl-CoA.
The molecule CC(C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)OC(=O)[C@@H]1C)C(C)C)[C@H](C)Cc1ccccc1 CC(C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)OC(=O)[C@@H]1C)C(C)C)[C@H](C)Cc1ccccc1 is Dolastatin 16. It has the role of metabolite . It is also related to or classified as cyclodepsipeptide  .
The molecule N[C@@H](CCO)C(O)=O N[C@@H](CCO)C(O)=O is the L-enantiomer of homoserine. It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It has the role of algal metabolite . It is also related to or classified as homoserine  .
The molecule [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCC(O)=O)C1=O [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCC(O)=O)C1=O is Smenospongines B. It has the role of metabolite .  It is also related to or classified as monohydroxy-1,4-benzoquinones  . It is also related to or classified as prenylquinone .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C is an O-acylcarnitine having behenoyl (docosanoyl) as the acyl substituent. It has a role as a metabolite. It derives from a carnitine.
The molecule [H+].C1CC2=C([C@@H](C3=CC=CC=C31)N4C=CN=C4)C(=CC(=C2)Cl)Cl is an organic cation obtained by protonation of the imidazole group of (R)-eberconazole. It is a conjugate acid of a (R)-eberconazole. It is an enantiomer of a (S)-eberconazole(1+).
The molecule S(O[C@@H]1[C@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1COS(O)(=O)=O)O)(O)(=O)=O S(O[C@@H]1[C@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1COS(O)(=O)=O)O)(O)(=O)=O is an amino disaccharide consisting of alpha-L-threo-hex-4-enopyranuronic acid and 2-acetaido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose joined in sequence by a (1->3) glycosidic bond.   It is also related to or classified as enol  . It is also related to or classified as acetamides , amino disaccharide , oligosaccharide sulfate , alpha,beta-unsaturated monocarboxylic acid .
The molecule C(CC(CC(=O)[O-])(C(=O)O)O)C(=O)[O-].[NH2-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[V].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe] is a 7Fe-V-9S-X-homocitryl cluster, the structure of which is assumed to be analogous to the 7Fe-Mo-9S-X-homocitryl cluster. The identity of the X atom is not known, possibly carbon or oxygen. It has a role as a cofactor.
The molecule CCC[NH2+][C@H]1CCc2[nH+]c(N)sc2C1 CCC[NH2+][C@H]1CCc2[nH+]c(N)sc2C1 is an ammonium ion resulting from the protonation of two most basic nitrogens of pramipexole. It is a conjugate acid of pramipexole . It is also related to or classified as ammonium ion derivative .
The molecule OC(=O)C(O)=O.CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 OC(=O)C(O)=O.CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 is an oxalate salt obtained by reaction of 5-nonyloxytryptamine with one equivalent of oxalic acid. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold). It has the role of serotonergic agonist . It is also related to or classified as oxalate salt .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#34. It derives from an oscr#34. It is a conjugate acid of an oscr#34-CoA(4-).
The molecule CC1=CC(=C(C=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C is a racemate comprising equimolar amounts of the R- and S- enantiomers of 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluic acid. It is the minor component of the herbicide imazamethabenz. It contains a 6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid and a 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid.
The molecule [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)c(O)cc2ncoc12 [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)c(O)cc2ncoc12 is Nakijinol B. It has the role of metabolite . It is also related to or classified as benzoxazole .
The molecule CC[C@H](C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](CCCC=C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O)C(C)C CC[C@H](C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](CCCC=C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O)C(C)C is Veraguamide G. It has the role of metabolite . It is also related to or classified as cyclodepsipeptide  .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4CC4 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4CC4 is N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC(=O)N1CCCC1C(=O)O is a N-acylpyrrolidine that is proline substituted by a propanoyl group at the nitrogen atom. It is a N-acylpyrrolidine, a pyrrolidinemonocarboxylic acid and a non-proteinogenic alpha-amino acid. It derives from a proline.
The molecule CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)O is a 1,3-diglyceride in which the acyl groups at positions 1 and 3 are specified as palmitoyl (hexadecanoyl) and linoleoyl respectively. It is a diacylglycerol 34:2 and a 1,3-diglyceride. It derives from a hexadecanoic acid and a linoleic acid.
The molecule O=C1N2[C@@]3([C@@]4([C@]5(N(CC4)C\C(\[C@](C5)([C@]3([C@@H](C1)O)[H])[H])=C\CO)[H])C=6C2=CC=CC6)[H] O=C1N2[C@@]3([C@@]4([C@]5(N(CC4)C\C(\[C@](C5)([C@]3([C@@H](C1)O)[H])[H])=C\CO)[H])C=6C2=CC=CC6)[H] is A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from Strychnos icaja and Strychnos nux-vomica. It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as secondary alcohol  .    It is also related to or classified as delta-lactam  . It is also related to or classified as tertiary amino compound , organic heterohexacyclic compound , monoterpenoid indole alkaloid , olefinic compound .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CC=NC=C5 C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CC=NC=C5 is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1 C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1 is A tertiary amino compound that consists of cyclohexane having piperidin-1-yl and benzothiophen-2-yl groups attached at position 1. A potent dopamine re-uptake inhibitor with a behavioral profile different from that of phencyclidine (PCP) and similar to that of cocaine. It has the role of dopamine uptake inhibitor . It is also related to or classified as piperidines , 1-benzothiophenes , tertiary amino compound .
The molecule CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C)C CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C)C is N-[(4R,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC/C(=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)[O-])/C3=CC=CC=C3 is a tertiary amine oxide resulting from the formal oxidation of the amino group of tamoxifen. It has a role as a metabolite and an anti-estrogen. It is an aromatic ether and a tertiary amine oxide. It derives from a tamoxifen. It derives from a hydride of a stilbene.
The molecule CCCCC(=O)OC1=CC=CC=C1C(=O)O is a valerate ester that is salicylic acid in which the phenolic hydrogen is replaced by a valeryl (pentanoyl) group. It has a role as a cyclooxygenase 1 inhibitor. It is a member of benzoic acids, a valerate ester and a member of salicylates. It derives from a salicylic acid.
The molecule CC(=CCC1=CC(=C(C=C1O)O)C2=CC3=CC4=C(C=C3O2)OCO4)C is an organic heterotricyclic compound that is 5,6-methylenedioxybenzofuran substituted by a 2,4-dihydroxy-5-prenylphenyl moiety at position 2. Isolated from the roots of Sophora flavescens, it exhibits cytotoxic activity against the KB epidermoid carcinoma cell line. It has a role as a metabolite and an antineoplastic agent. It is a member of resorcinols, an organic heterotricyclic compound and an oxacycle.
The molecule CC(C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C(C)C)N(C)C1=O CC(C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C(C)C)N(C)C1=O is Veraguamide F. It has the role of metabolite . It is also related to or classified as cyclodepsipeptide  .
The molecule O(C1=CC(CC=2N(C(=NC2CC3=CC=C(OC)C=C3)N)C)=CC(OC)=C1O)C O(C1=CC(CC=2N(C(=NC2CC3=CC=C(OC)C=C3)N)C)=CC(OC)=C1O)C is Naamine G. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule O/C=C\O O/C=C\O is A diol that is ethene substituted at positions 1 and 2 by hydroxy groups (the Z-geoisomer). Its functional parent is ethene . It is also related to or classified as diol  . It is also related to or classified as enol  .
The molecule CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C is 1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCC1=CC(OC1=O)C)O)O is an artemoin in which the two hydroxy groups on the C-30 side-chain are located at positions 15 and 16. It has a role as a mouse metabolite, a plant metabolite and a rat metabolite.
The molecule CC1C(=O)C(=O)C(=C)O1 is an alpha-diketone that is the 3,4-diketo derivative of 2-methyl-5-methylenefuran. It is a member of furans and an alpha-diketone. It is a tautomer of a 4-hydroxy-5-methyl-2-methylenefuran-3-one.
The molecule [H][C@@]12CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OC)C1=O [H][C@@]12CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OC)C1=O is 5-epi-ilimaquinone. It has the role of metabolite .  It is also related to or classified as monohydroxy-1,4-benzoquinones  . It is also related to or classified as prenylquinone .
The molecule CC(O)=NO CC(O)=NO is A carbohydroximic acid consisting of acetimidic acid having a hydroxy group attached to the imide nitrogen. Its functional parent is acetimidic acid . It is also related to or classified as carbohydroximic acid  .
The molecule OC(=O)\C=C/C(O)=O.C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1 OC(=O)\C=C/C(O)=O.C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1 is A maleate salt obtained by reaction of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine with one equivalent of maleic acid. A potent dopamine re-uptake inhibitor with a behavioral profile different from that of PCP and similar to that of cocaine. It has the role of dopamine uptake inhibitor . It is also related to or classified as maleate salt .
The molecule COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O is an anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'. It has the role of plant metabolite . It is a conjugate acid of petunidin(1-) . It is also related to or classified as 5-hydroxyanthocyanidin  .
The molecule C[C@@H](C1=CC=CC=C1)[NH3+] is an ammonium ion resulting from the protonation of the amino group of (S)-1-phenylethanamine; major microspecies at pH 7.3. It is a conjugate acid of a (1S)-1-phenylethanamine. It is an enantiomer of a (1R)-1-phenylethanaminium.
The molecule CC1=C(C2=C(C=C1)C3=CC(=C(C=C3C=C2)C(C)C)O)C is a diterpenoid that is multicaulin in which the methoxy group at position 12 is replaced by a hydroxy group. A norabietane derivative, it is isolated from the roots of Salvia multicaulis and exhibits antitubercular activity. It has a role as a metabolite and an antitubercular agent. It is a member of phenols, a diterpenoid and a member of phenanthrenes.
The molecule [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OC)C1=O [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OC)C1=O is Ilimaquinone. It has the role of metabolite .  It is also related to or classified as monohydroxy-1,4-benzoquinones  . It is also related to or classified as prenylquinone .
The molecule CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](OC(=O)[C@H]([C@@H](C)CC)N(C)C1=O)[C@@H](C)CC CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](OC(=O)[C@H]([C@@H](C)CC)N(C)C1=O)[C@@H](C)CC is Veraguamide E. It has the role of metabolite . It is also related to or classified as cyclodepsipeptide  .
The molecule CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2 is pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is a member of pyridines and an organobromine compound.
The molecule CCCCCC/C=C/CCOS(=O)(=O)O is a sulfuric ester obtained by the formal condensation of (3E)-dec-3-en-1-ol with sulfuric acid. It has a role as a Daphnia pulex metabolite and a kairomone. It is an organic sulfate and a sulfuric ester. It is a conjugate acid of a (3E)-dec-3-en-1-yl sulfate.
The molecule CC(=C)CC[C@H](CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O)C(=C)C is a tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a lavandulyl group at position 8. Isolated from Physena madagascariensis, it exhibits antibacterial activity. It has a role as a metabolite and an antibacterial agent. It is a tetrahydroxyflavanone and a member of 4'-hydroxyflavanones.
The molecule C[N+](C)(C)CCOP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O C[N+](C)(C)CCOP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O is A phosphocholine that is the 4-nitrophenyl ester of choline phosphate. It has the role of epitope . It has the role of hapten . It is also related to or classified as phosphocholines .
The molecule CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=CC=C2Cl CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=CC=C2Cl is 3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
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(=O)C/C=C/CC(=O)[O-])O is an acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxy groups of 3-oxo-5,6-dehydrosuberyl-CoA; major species at pH 7.3. It is a conjugate base of a 3-oxo-5,6-dehydrosuberyl-CoA.
The molecule [H][C@]1(O[C@H]1\C=C\[C@@H]1O[C@@]1([H])[C@H](O)C=C)[C@@H](C)O [H][C@]1(O[C@H]1\C=C\[C@@H]1O[C@@]1([H])[C@H](O)C=C)[C@@H](C)O is A polyketide obtained from the fungus Alternaria brassicicola and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres.  It is an inhibitor of histone deacetylase (HDAC) both in vivo and in vitro and also exhibits anti-angiogenic activity. It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of fungal metabolite . It is also related to or classified as polyketide  .
The molecule C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C is N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(C(=O)C(=O)[O-])C(=O)N is the conjugate base of 2-oxosuccinamic acid; major species at pH 7.3. It is a conjugate base of a 2-oxosuccinamic acid.