anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O is (3R,5S)-3,5-dihydroxyhept-6-enoic acid in which the (7E)-hydrogen is substituted by a 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl group. Formerly used (as its sodium salt) to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity. It is a member of pyridines, a dihydroxy monocarboxylic acid and a statin (synthetic). It is a conjugate acid of a cerivastatin(1-).
The molecule CC1=CC(=NC(=N1)N(CC(=O)N2CCC(CC2)C(=O)N)C#N)C CC1=CC(=NC(=N1)N(CC(=O)N2CCC(CC2)C(=O)N)C#N)C is 1-[2-[cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]\C(C)=C\C(O)=O [H]\C(C)=C\C(O)=O is A but-2-enoic acid having a cis- double bond at C-2. It is a conjugate acid of isocrotonate . It is also related to or classified as 2-butenoic acid  .
The molecule C[C@@H]1CC[C@@H]([C@@]2([C@@H]1[C@H]3[C@H](C3(C)C)CC2)C)O is a carbotricyclic compound that consists of decahydro-1H-1H-cyclopropa[a]naphthalene bearing four methyl substituents at position 1, 1, 3a and 7 as well as a hydroxy substituent at position 4 (the (1aR,3aS,4S,7R,7aS,7bR)-diastereomer). It is a sesquiterpenoid, a carbotricyclic compound and a secondary alcohol.
The molecule O(C(=O)CCCCC\C=C\CCCCCCCC)C O(C(=O)CCCCC\C=C\CCCCCCCC)C is formyl 7E-hexadecenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@@]2(C)OC(=O)C=C2)C1(C)C CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@@]2(C)OC(=O)C=C2)C1(C)C is A  tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata. It has the role of plant metabolite .  It is also related to or classified as acetate ester  . It is also related to or classified as butenolide  . It is also related to or classified as tetracyclic triterpenoid .
The molecule CC1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CN=CC=C4)C5=CC=CC=C5 CC1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CN=CC=C4)C5=CC=CC=C5 is 4-(4-methyl-1-piperidinyl)-5-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as organonitrogen heterocyclic compound .
The molecule [H]C12CCC3CCCCC3(C)C2([H])CCC4(C(=CC(O)(OS(=O)(=O)O)OS(=O)(=O)O)CCC14[H])C [H]C12CCC3CCCCC3(C)C2([H])CCC4(C(=CC(O)(OS(=O)(=O)O)OS(=O)(=O)O)CCC14[H])C is A pregnenetriol that is sulphated at 2 of the 3 hydroxy positions at position 22. It is also related to or classified as steroid sulfate .
The molecule C1C(O1)COC2=CC3=C(C=C2)C(=C4C=CC(=O)C=C4O3)C5=CC=CC=C5C(=O)OCC6CO6 is an epoxide fluorescent probe for use in in vivo visualization of hydrogen sulfide. The probe employs a fluorescein as a fluorophore, and is equipped with an operating epoxide unit. FEPO functions via epoxide ring opening via nucleophilic attack by H2S. It has a role as a fluorescent probe. It is an epoxide, a benzoate ester, an aromatic ether and a xanthene dye. It derives from a fluorescein.
The molecule O(C(=O)CCCCCC/C=C\CCCCCCC)C O(C(=O)CCCCCC/C=C\CCCCCCC)C is formyl 8Z-hexadecenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule C[C@@]1(OC(=O)C=C1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C C[C@@]1(OC(=O)C=C1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C is A  tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata. It has the role of plant metabolite .   It is also related to or classified as butenolide  . It is also related to or classified as tetracyclic triterpenoid , cyclic terpene ketone .
The molecule CCN1C2=CC=CC=C2C3(C1=O)C(C(=O)C(=O)N3CCCN4CCOCC4)C(=O)C5=CC6=CC=CC=C6O5 CCN1C2=CC=CC=C2C3(C1=O)C(C(=O)C(=O)N3CCCN4CCOCC4)C(=O)C5=CC6=CC=CC=C6O5 is 4'-(1-benzofuran-2-carbonyl)-1-ethyl-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H]([C@@H](CC(=O)C(=O)[O-])O)O is a carbohydrate acid anion and conjugate base of 2-dehydro-3-deoxy-D-fuconic acid, formed by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 2-dehydro-3-deoxy-D-fuconic acid.
The molecule COc1cc(Cl)c(OC)cc1Cl COc1cc(Cl)c(OC)cc1Cl is A dimethoxybenzene that is p-dimethoxybenzene which is substituted by chlorines at positions 2 and 5. A fungicide formerly used as a seed treatment, it is not approved for use in the European Union. It has the role of antifungal agrochemical . It is also related to or classified as dichlorobenzene  . It is also related to or classified as dimethoxybenzene , aromatic fungicide .
The molecule COC1=CC(=CC2=C1C(=O)C(O2)(CC3=CC=C(C=C3)O)O)O is a member of the class of 1-benzofurans that is 1-benzofuran-3(2H)-one, substituted by hydroxy groups at positions 2 and 6, a 4-hydroxybenzyl group at position 2 and a methoxy group at position 4. Isolated from the heartwood of Pterocarpus marsupium, it exhibits antihyperglycemic and antihyperlipidemic activities. It has a role as a metabolite, a hypoglycemic agent and an antilipemic drug. It is a polyphenol, an aromatic ether and a member of 1-benzofurans.
The molecule O=C1N2[C@H](C(=O)N[C@H]1CC=3C4=C(C=CC=C4)N(C3)CC=C(C)C)CCC2 O=C1N2[C@H](C(=O)N[C@H]1CC=3C4=C(C=CC=C4)N(C3)CC=C(C)C)CCC2 is N-prenyl-cyclo-L-tryptophyl-L-proline. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]C(=CC(=O)C(O)=O)c1ccc(CO)cc1O [H]C(=CC(=O)C(O)=O)c1ccc(CO)cc1O is A 2-oxo monocarboxylic acid that results from the formal aldol condensation of the methyl group of pyruvic acid with the aldehyde group of 2-hydroxy-4-(hydroxymethyl)benzaldehyde. Its functional parent is pyruvic acid . It is also related to or classified as phenols  . It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule COc1cc(ccc1O)[C@H]1CC(=O)Oc2cc(O)c3C[C@H](O)[C@H](Oc3c12)c1cc(O)c(OC)c(O)c1 COc1cc(ccc1O)[C@H]1CC(=O)Oc2cc(O)c3C[C@H](O)[C@H](Oc3c12)c1cc(O)c(OC)c(O)c1 is 4',3''-di-O-methylapocynin-B. It has the role of metabolite . It is also related to or classified as catechin  .
The molecule C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)(CO)O is a flavone C-glycoside that is 7,4'-dihydroxyflavone substituted by a 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has a role as a plant metabolite. It is a dihydroxyflavone and a flavone C-glycoside.
The molecule [H][C@@]12C[C@@]34CC(=C)[C@H]5CC3C3N1C[C@]1(C)CCC[C@@]3([C@]4([H])C5)[C@]21[H] [H][C@@]12C[C@@]34CC(=C)[C@H]5CC3C3N1C[C@]1(C)CCC[C@@]3([C@]4([H])C5)[C@]21[H] is hetisan. It is also related to or classified as diterpene alkaloid , terpene alkaloid fundamental parent .
The molecule C1C(C1N)C2=CC=CC=C2 is a member of the class of cyclopropanes carrying amino and phenyl substituents at positions 1 and 2 respectively. It is a member of cyclopropanes, a primary amine and a member of benzenes.
The molecule [H]C(C([H])=C1C(=O)Cc2ccccc12)=C(O)C(O)=O [H]C(C([H])=C1C(=O)Cc2ccccc12)=C(O)C(O)=O is 2-hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoic acid. Its functional parent is 2-butenoic acid . It is also related to or classified as 2-hydroxy monocarboxylic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule COc1cc(ccc1O)[C@H]1CC(=O)Oc2c3C[C@H](O)[C@H](Oc3cc(O)c12)c1cc(O)c(OC)c(O)c1 COc1cc(ccc1O)[C@H]1CC(=O)Oc2c3C[C@H](O)[C@H](Oc3cc(O)c12)c1cc(O)c(OC)c(O)c1 is 4',3''-di-O-methylapocynin-D. It has the role of metabolite . It is also related to or classified as catechin  .
The molecule [H][C@@]12CC=C3CCN[C@@]3([H])[C@]1([H])c1ccccc1CO2 [H][C@@]12CC=C3CCN[C@@]3([H])[C@]1([H])c1ccccc1CO2 is lycorenan. It is also related to or classified as indole alkaloid fundamental parent , indole alkaloid .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCC(=O)O is a very long-chain omega-6 fatty acid that is triacontanoic acid having five double bonds located at positions 12, 15, 18, 21 and 24 (the 12Z,15Z,18Z,21Z,24Z-isomer). It is an omega-6 fatty acid and a triacontapentaenoic acid. It is a conjugate acid of a (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoate.
The molecule [H]C(C([H])=C1Cc2ccccc2C1=O)=C(O)C(O)=O [H]C(C([H])=C1Cc2ccccc2C1=O)=C(O)C(O)=O is 2-hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoic acid. Its functional parent is 2-butenoic acid . It is also related to or classified as 2-hydroxy monocarboxylic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule COc1cc(\C=C\C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(OC)c(O)c2)ccc1O COc1cc(\C=C\C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(OC)c(O)c2)ccc1O is 4'-O-methylepigallocatechin-3-O-ferulate. It has the role of metabolite . It is also related to or classified as catechin  .
The molecule CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCO is an ultra-long-chain primary fatty alcohol that is nonacosan-1-ol substituted by a methyl group at position 28. It derives from a hydride of a nonacosane.
The molecule C[N+]1=C(C2=CC(=C(C=C2CC1)OC)O)CC3=CC(=C(C=C3)OC)O is a benzylisoquinoline alkaloid that is obtained by selective dehydrogenation at the 1,2-position of reticuline. It is a benzylisoquinoline alkaloid and an organic cation. It derives from a reticuline.
The molecule Cc1cccc(\C=C\C(=O)C(O)=O)c1O Cc1cccc(\C=C\C(=O)C(O)=O)c1O is an 2-oxo monocarboxylic acid consisting of pyruvic acid having a 2-hydroxy-3-methylbenzylidene group at the 3-position. Its functional parent is pyruvic acid . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32 is 3-(1H-indol-3-yl)propanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester. It is also related to or classified as indolyl carboxylic acid .
The molecule COc1cc(\C=C\C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)ccc1O COc1cc(\C=C\C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)ccc1O is Epigallocatechin-3-O-ferulate. It has the role of metabolite . It is also related to or classified as catechin  .
The molecule C[C@@H]1CCN2[C@@]13C[C@H]4[C@@](C2)(C[C@]5(C4(C)C)CC(=O)N(C5=O)C)N(C3=O)C is an alkaloid isolated from Aspergillus aculeatus. It has a role as an Aspergillus metabolite. It is an alkaloid, an azaspiro compound and a dicarboximide.
The molecule OC(=O)C(=O)\C=C\c1cccc(C(O)=O)c1O OC(=O)C(=O)\C=C\c1cccc(C(O)=O)c1O is an oxo dicarboxylic acid consisting of pyruvic acid having a 2-hydroxy-3-carboxybenzylidene group at the 3-position. Its functional parent is pyruvic acid . It is also related to or classified as oxo dicarboxylic acid .
The molecule CN1C2C(NC1=O)N(CCN2S(=O)(=O)C)S(=O)(=O)C CN1C2C(NC1=O)N(CCN2S(=O)(=O)C)S(=O)(=O)C is 3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one. It is also related to or classified as sulfonamide  . It is also related to or classified as imidazopyrazine  . It is also related to or classified as ureas .
The molecule COc1ccc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 COc1ccc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 is 4'-O-methylepicatechin-3-O-gallate. It has the role of metabolite . It is also related to or classified as catechin  .
The molecule C1=CC(=CC=C1CO)O is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. It has a role as a plant metabolite. It is a member of phenols and a member of benzyl alcohols.
The molecule [H][C@@]12CCC[C@]([H])(C[C@@H](O)CCc3ccc(OC)c(c3)-c3cc(CC[C@H](O)C1)ccc3O)N2 [H][C@@]12CCC[C@]([H])(C[C@@H](O)CCc3ccc(OC)c(c3)-c3cc(CC[C@H](O)C1)ccc3O)N2 is lythranidine. It is also related to or classified as piperidine alkaloid , piperidine alkaloid fundamental parent .
The molecule C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] is an N-nitro compound that is 1,3,5-triazinane in which all three of the hydrogens attached to the nitrogens have been replaced by nitro groups. It is widely used in both industrial and military explosives. It has a role as an explosive. It is a member of 1,3,5-triazinanes and a N-nitro compound.
The molecule O(C(=O)CC(CC(CCCCCCC)C)C)C O(C(=O)CC(CC(CCCCCCC)C)C)C is formyl 3,5-dimethyl-dodecanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 is 4'-O-methylepigallocatechin-3-O-gallate. It has the role of metabolite . It is also related to or classified as catechin  .
The molecule [H][C@@]12CC[C@H](C)C[N@+]1([O-])[C@@H](CC[C@H]2C)c1ccoc1 [H][C@@]12CC[C@H](C)C[N@+]1([O-])[C@@H](CC[C@H]2C)c1ccoc1 is nupharidine. It is also related to or classified as tertiary amine oxide  . It is also related to or classified as quinolizidine alkaloid , quinolizidine alkaloid fundamental parent .
The molecule CC[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\C=C\\[C@H](CCCC(=O)O)O)O is a member of the class of resolvins that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid carrying two hydroxy substituents at positions 5 and 18 (the 5S,18S stereoisomer). It has a role as an anti-inflammatory agent and a human xenobiotic metabolite. It is a resolvin, a diol, a secondary allylic alcohol and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a (18S)-resolvin E2(1-).
The molecule O=C1N(C(=O)N[C@@]1(CC)C2=CC=C(O)C=C2)C O=C1N(C(=O)N[C@@]1(CC)C2=CC=C(O)C=C2)C is 4'-hydroxymephenytoin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. It has the role of metabolite . It has the role of EC 3.2.1.1 (alpha-amylase) inhibitor . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . Its functional parent is gallic acid . Its functional parent is (-)-epicatechin . It is also related to or classified as catechin  . It is also related to or classified as polyphenol , gallate ester .
The molecule CCCCCC1=CC(=O)OC2=C1C(=CC(=C2C(CCN3CCCC3)C4=CC=C(C=C4)N(C)C)OC)OC CCCCCC1=CC(=O)OC2=C1C(=CC(=C2C(CCN3CCCC3)C4=CC=C(C=C4)N(C)C)OC)OC is A member of the class of coumarins that is 5,7-dimethoxy-2H-chromen-2-one substituted by a pentyl group and a 1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl group at positions 4 and 8, respectively. It is also related to or classified as coumarins , aromatic ether , pyrrolidines , tertiary amino compound .
The molecule OC(=O)[C@H]1CCSCC(=N1)C(O)=O OC(=O)[C@H]1CCSCC(=N1)C(O)=O is A 1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid that has R-configuration. It is cyclic sulfur-containing imino acid detected in bovine brain extracts. It has the role of reactive oxygen species generator . It has the role of mammalian metabolite . It has the role of human urinary metabolite . It has the role of rat metabolite . It is a conjugate acid of (R)-cystathionine ketimine(2-) . It is also related to or classified as 1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid  . It is also related to or classified as sulfur-containing amino acid .
The molecule OP([O-])[O-] is a divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid. It is a phosphite ion and a divalent inorganic anion. It is a conjugate base of a dihydrogenphosphite. It is a conjugate acid of a phosphite(3-).
The molecule OC(=O)C(CCCCCCCCCC)=C OC(=O)C(CCCCCCCCCC)=C is 2-methylene dodecanoic acid. It is also related to or classified as medium-chain fatty acid  .
The molecule COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O is 3'-O-methylepicatechin. It has the role of metabolite . It is also related to or classified as catechin  .
The molecule C/C=C/C=C/C=C\\CC/C=C/C=C/C(=O)NCC(C)C is an enamide obtained by the formal condensation of 2-methylpropanamine with tetradeca-2,4,8,10,12-pentaenoic acid (the 2E,4E,8Z,10E,12E stereoisomer). Isolated from Zanthoxylum piperitum, it exhibits inhibitory activity against acyl-CoA:cholesterol acyltransferase. It has a role as an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor and a plant metabolite. It is an enamide and a secondary carboxamide. It derives from a 2-methylpropanamine.
The molecule [H][C@]12C[C@]3([H])CCCCN3[C@@]([H])(C1)c1ccccc1-c1cccc(\C=C/CO2)c1 [H][C@]12C[C@]3([H])CCCCN3[C@@]([H])(C1)c1ccccc1-c1cccc(\C=C/CO2)c1 is lythran. It is also related to or classified as quinolizidine alkaloid , quinolizidine alkaloid fundamental parent .
The molecule CSCCCCC/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O is a thia-alkylglucosinolate that has a 5-(methylsulfanyl)pentyl side chain attached to the sulfonated oxime group. It derives from a pentylglucosinolate. It is a conjugate base of a glucoberteroin.
The molecule O(CC1=CC=CC=C1)C(=O)C(=C(C)C)C O(CC1=CC=CC=C1)C(=O)C(=C(C)C)C is Benzyl 2,3-dimethyl-2-butenoate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O is 4'-O-methylepigallocatechin. It has the role of metabolite . It is also related to or classified as catechin  .
The molecule Nc1nc2NCC3CN(CN3c2c(=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O Nc1nc2NCC3CN(CN3c2c(=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O is 5,10-methylenetetrahydrofolate(2-). It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as tetrahydrofolate .
The molecule [H][C@@]12CCCN[C@@]1([H])[C@]1(CN3CCCC[C@]3([H])[C@@]([H])(C2)C1)[C@@]1([H])CCCCN1 [H][C@@]12CCCN[C@@]1([H])[C@]1(CN3CCCC[C@]3([H])[C@@]([H])(C2)C1)[C@@]1([H])CCCCN1 is ormosanine. It is also related to or classified as quinolizidine alkaloid , quinolizidine alkaloid fundamental parent .
The molecule CC1=CC(=CC(=C1O)O)Cl is a chlorocatechol that iscatechol in which the hydrogens at positions 3 and 5 have been replaced by methyl and chlorine, respectively. It is a chlorocatechol, a member of monochlorobenzenes and a methylcatechol.
The molecule OC[C@H]1O[C@@H](Oc2c(O)ccc3c2ccc2ccccc32)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2c(O)ccc3c2ccc2ccccc32)[C@H](O)[C@@H](O)[C@@H]1O is 2-hydroxy-1-phenanthryl beta-D-glucopyranoside. Its functional parent is phenanthrene-1,2-diol . It is also related to or classified as phenanthryl beta-D-glucopyranoside .
The molecule COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@@H]1O COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@@H]1O is 4'-O-methylgallocatechin. It has the role of metabolite . It is also related to or classified as catechin  .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)O)O)O)CO)O)O is an amino disaccharide consisting of 2-acetamido-2-deoxy-alpha-D-galactopyranose and D-galactopyranose residues joined in sequence by a (1->6) glycosidic bond. It is an amino disaccharide and a member of acetamides. It derives from a D-galactopyranose and a N-acetyl-alpha-D-galactosamine.
The molecule [H]O[Te]([O-])([O-])([O-])(O[H])O[H] [H]O[Te]([O-])([O-])([O-])(O[H])O[H] is orthotellurate(3-). It is a conjugate acid of orthotellurate(4-) . It is also related to or classified as orthotellurate ion .
The molecule CCCC(=O)OCC(CO)OC(=O)CCC is a dibutyrin resulting from the condensation the secondary hydroxy group and one of the primary hydroxy groups of glycerol with butyric acid. It has a role as a Mycoplasma genitalium metabolite. It is a primary alcohol and a dibutyrin.
The molecule COc1ccc(cc1OC)[C@H]1[C@@H]2[C@H](COC2=O)Cc2cc3OCOc3cc12 COc1ccc(cc1OC)[C@H]1[C@@H]2[C@H](COC2=O)Cc2cc3OCOc3cc12 is 5'-Demethoxydeoxypodophyllotoxin. It is also related to or classified as lactone  . It is also related to or classified as lignan  .
The molecule [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)[C@@H](C[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@H]1C(C)=C)O2)OC(C)=O [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)[C@@H](C[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@H]1C(C)=C)O2)OC(C)=O is Cimiracemoside K. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O is a tetrahydroxyflavone that is isoorientin in which the phenolic hydrogens at positions 3' and 7 have been replaced by methyl groups. It has a role as a plant metabolite. It is a flavone C-glycoside, a polyphenol, a dihydroxyflavone and a dimethoxyflavone. It derives from an isoorientin.
The molecule CC1=CC(=C(C=C1)C)C(=O)O is a dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 5. It derives from a benzoic acid. It is a conjugate acid of a 2,5-dimethylbenzoate.
The molecule OC(=O)\C=C\C=C/CCCCC OC(=O)\C=C\C=C/CCCCC is trans, cis-stillingic acid. It is also related to or classified as medium-chain fatty acid  .
The molecule [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)=C)O2 [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)=C)O2 is 25-O-anhydrocimigenol 3-O-beta-D-xylopyranoside. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule [H][C@]12C[C@@]3([H])[C@]4([H])CCC5CCCC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)C1(CCC(C)CN1)O2 [H][C@]12C[C@@]3([H])[C@]4([H])CCC5CCCC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)C1(CCC(C)CN1)O2 is spirosolane. It is also related to or classified as alkaloid  . It is also related to or classified as steroid  . It is also related to or classified as azaspiro compound , steroid alkaloid fundamental parent .
The molecule C[C@H](/C=C(\\C)/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C is a trichostatin and a hydroxamic acid. It has a role as a bacterial metabolite. It derives from a (R)-trichostatic acid.
The molecule CC(C(=O)NC1CCCCC1)OC(=O)C2=C(C(=NS2)C(=O)NC3CCCCC3)N CC(C(=O)NC1CCCCC1)OC(=O)C2=C(C(=NS2)C(=O)NC3CCCCC3)N is 4-amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester. It is also related to or classified as thiazoles , aromatic amide .
The molecule OC(=O)/C=C\C=C/CCCCC OC(=O)/C=C\C=C/CCCCC is cis, cis-stillingic acid. It is also related to or classified as medium-chain fatty acid  .
The molecule [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)=C)O2 [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)=C)O2 is 25-O-anhydrocimigenol 3-O-alpha-L-arabinopyranoside. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule [H]O[Te]([O-])([O-])([O-])([O-])O[H] [H]O[Te]([O-])([O-])([O-])([O-])O[H] is orthotellurate(4-). It is a conjugate acid of orthotellurate(5-) . It is also related to or classified as orthotellurate ion .