anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O is A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. It has the role of radiosensitizing agent . It has the role of antimetabolite . It has the role of antineoplastic agent . It has the role of antiviral drug .  It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrimidine 2'-deoxyribonucleoside , nucleoside analogue .
The molecule CC1=CC(=O)O[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)C1(C)C CC1=CC(=O)O[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)C1(C)C is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2R)-3,3,4-trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetic acid. It is a conjugate acid of [(2R)-3,3,4-trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule [O-]P(=O)([O-])[O-].[Fe+3] is an inorganic phosphate having Fe(3+) as the counterion. It is an iron molecular entity and an inorganic phosphate. It contains an iron(3+).
The molecule C[C@@H](CCCc1ccoc1)CC(=O)C[C@H](C)CCCc1ccoc1 C[C@@H](CCCc1ccoc1)CC(=O)C[C@H](C)CCCc1ccoc1 is Tetrahydrofurospongin-2. It has the role of metabolite . It is also related to or classified as furans .
The molecule C1CC(=O)N(C1=O)Br is a five-membered cyclic dicarboximide compound having a bromo substituent on the nitrogen atom. It has a role as a reagent. It is a dicarboximide, a pyrrolidinone and an organobromine compound. It derives from a succinimide.
The molecule CO[C@@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CCc2cc(C(C)C)c(O)cc12 CO[C@@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CCc2cc(C(C)C)c(O)cc12 is an abietane diterpenoid isolated from the stem bark of  Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as abietane diterpenoid , cyclic ether , tetracyclic diterpenoid .
The molecule CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O is an N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis. It has the role of Hedgehog signaling pathway inhibitor . It has the role of P450 inhibitor . It has the role of EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor . It is also related to or classified as dichlorobenzene  . It is also related to or classified as aromatic ether , dioxolane , N-arylpiperazine , cyclic ketal , conazole antifungal drug , triazole antifungal drug , triazoles .
The molecule Cc1ccc(cc1C)C(O)=O Cc1ccc(cc1C)C(O)=O is A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 4. Its functional parent is benzoic acid . It is a conjugate acid of 3,4-dimethylbenzoate . It is also related to or classified as dimethylbenzoic acid .
The molecule C1CCN[C@@H](C1)[C@@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O is an optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (+)-(11R,2'S)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown. It has a role as an antimalarial. It is an enantiomer of a (-)-(11S,2'R)-erythro-mefloquine.
The molecule C\C(CCCc1ccoc1)=C/CC\C(C)=C\CCc1ccoc1 C\C(CCCc1ccoc1)=C/CC\C(C)=C\CCc1ccoc1 is Anhydrofurospongin-1. It has the role of metabolite . It is also related to or classified as monoterpenoid .
The molecule CC1=CC=C(C=C1)C(=O)[O-] is a toluate that is the conjugate base of p-toluic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a p-toluic acid.
The molecule CC(C)c1cc2CC[C@H]3[C@]4(C)CCC[C@]3([C@@H](O)OC4)c2cc1O CC(C)c1cc2CC[C@H]3[C@]4(C)CCC[C@]3([C@@H](O)OC4)c2cc1O is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as abietane diterpenoid , cyclic ether , tetracyclic diterpenoid .
The molecule CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCc1ccc(F)cc1 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCc1ccc(F)cc1 is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an 8-(4-fluorophenyl)octanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule CC1=CC(=O)[C@H](CC(O)=O)C1(C)C CC1=CC(=O)[C@H](CC(O)=O)C1(C)C is an optically active form of (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid having R-configuration. It is a conjugate acid of [(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate . It is also related to or classified as (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid  .
The molecule C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)O)O)C)O is a derivative of succinic acid in which one of the carboxy groups is esterified by the C-21 hydroxy group of cortisol (hydrocortisone). It is a dicarboxylic acid monoester, a hemisuccinate and a tertiary alpha-hydroxy ketone. It derives from a cortisol.
The molecule COC(=O)C(\CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC\C(C)=C\CCc1ccoc1 COC(=O)C(\CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC\C(C)=C\CCc1ccoc1 is Isofurospongin-4. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C/C=C(\\C)/C(=O)O[C@H]1[C@@]2(C[C@@]3([C@]1([C@H](C4=C5[C@H](C(=O)O[C@H]([C@@]5(CC[C@@H]4[C@@]3([C@H]2CC(=O)OC)C)C)C6=COC=C6)OC(=O)C)OC(=O)C)O)O)C is a limonoid with a phragmalin skeleton isolated from the leaves of Trichilia connaroides. It has a role as a metabolite and a plant metabolite. It is an acetate ester, a delta-lactone, a bridged compound, a member of furans, a limonoid, an organic heteropentacyclic compound, an enoate ester and a methyl ester. It derives from a tiglic acid.
The molecule CC(C)c1cc2CC[C@H]3[C@]4(C)CCC[C@]3([C@H](O)OC4)c2cc1O CC(C)c1cc2CC[C@H]3[C@]4(C)CCC[C@]3([C@H](O)OC4)c2cc1O is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as abietane diterpenoid , cyclic ether , tetracyclic diterpenoid .
The molecule CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an icosa-11,14-dienoyl group attached to the nitrogen. It has the role of antigen . Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule CC1=CC(=O)[C@H](CC([O-])=O)C1(C)C CC1=CC(=O)[C@H](CC([O-])=O)C1(C)C is A 4-oxo monocarboxylic acid anion that is the conjugate base of [(R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate  .
The molecule CCCCCCC\C(C)=C/C(=O)OC(C)CCCC\C=C(\C)CC(O)=O CCCCCCC\C(C)=C/C(=O)OC(C)CCCC\C=C(\C)CC(O)=O is Officinoic acid B. It has the role of metabolite . It is also related to or classified as fatty acid ester  .
The molecule CC(=O)N[C@@H](CSC(CC(=O)O)C(=O)O)C(=O)O is an N-acetyl-L-amino acid that is L-cysteine in which the hydrogen of the thiol group has been replace by a 1,2-dicarboxyethyl group. The first metabolite in the disposal of S-(2-succino)-L-cysteine by Bacillus subtilis. It is a N-acetyl-L-amino acid, a L-cysteine derivative and a tricarboxylic acid. It is a conjugate acid of a N-acetyl-S-(2-succino)-L-cysteine(3-).
The molecule CC(C)c1cc2[C@@H]3C[C@H]4[C@]5(C)CCC[C@]4([C@@H](OC5)O3)c2cc1O CC(C)c1cc2[C@@H]3C[C@H]4[C@]5(C)CCC[C@]4([C@@H](OC5)O3)c2cc1O is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as bridged compound , abietane diterpenoid , cyclic ether .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A sialotetraosylceramide consisting of a linear pentasaccharide made up from one sialyl residues, two galactose residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage. It is also related to or classified as sialotetraosylceramide .
The molecule CC1(C)C2CC(O)C1(C)C(=O)C2 CC1(C)C2CC(O)C1(C)C(=O)C2 is A cyclic monoterpene ketone that is camphor bearing a hydroxy substituent at position 6. Its functional parent is camphor . It is also related to or classified as bornane monoterpenoid , cyclic monoterpene ketone .
The molecule C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-] is a D-fructofuranose 1,6-bisphosphate(4-) that is the conjugate base of alpha-D-fructofuranose 1,6-bisphosphate. It is a conjugate base of an alpha-D-fructofuranose 1,6-bisphosphate.
The molecule CCCCCC\C(C)=C/C(=O)OCC(C)CCCC(C)CC(O)=O CCCCCC\C(C)=C/C(=O)OCC(C)CCCC(C)CC(O)=O is Officinoic acid A. It has the role of metabolite . It is also related to or classified as fatty acid ester  .
The molecule C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4 is a cephalosporin compound having pyridinium-1-ylmethyl and 2-thienylacetamido side-groups. A first-generation semisynthetic derivative of cephalosporin C. It has a role as an antibacterial drug. It is a cephalosporin, a semisynthetic derivative and a beta-lactam antibiotic allergen.
The molecule CC(C)c1cc2C(=O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)c2cc1O CC(C)c1cc2C(=O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)c2cc1O is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as cyclic terpene ketone , abietane diterpenoid , diterpene lactone , tetracyclic diterpenoid .
The molecule CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O is A polypeptide comprising the 12-amino acid sequence KATIGFEVQEE where the N-terminal lysyl (K) residue has an acetyl group at the Nalpha-position and a lipoyl group on the side-chain. A component of the inner lipoyl domain of the second enzyme of the pyruvate dehydrogenase complex (PDC-E2), to which antibodies are raised in the autoimmune disease primary biliary cirrhosis. It has the role of epitope . It is also related to or classified as polypeptide  . It is also related to or classified as N(alpha)-acetylpeptide , lipopeptide .
The molecule Cc1ccc(C([O-])=O)c(C)c1 Cc1ccc(C([O-])=O)c(C)c1 is A dimethylbenzoate in which the two methyl groups are located at positions 2 and 4. Its functional parent is benzoate . It is also related to or classified as dimethylbenzoate .
The molecule S(OC1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(OC)C=C4)CO)(O)(=O)=O S(OC1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(OC)C=C4)CO)(O)(=O)=O is Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC(=O)CCCCCCCCCCCC/C=C/CCCCCCCC OC(=O)CCCCCCCCCCCC/C=C/CCCCCCCC is 14E-tricosenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C[C@@H](CCCc1ccoc1)C[C@@H](O)C[C@]1(C)O[C@@H]1CCc1ccoc1 C[C@@H](CCCc1ccoc1)C[C@@H](O)C[C@]1(C)O[C@@H]1CCc1ccoc1 is 7,8-Epoxyfurospongin-1, (rel)-. It has the role of metabolite . It is also related to or classified as aliphatic alcohol  .
The molecule C[C@@]12CC[C@@H](C1(C)C)C[C@H]2NC(=O)CCN3C4=CC=CC=C4N=C3C5CCCCC5 is a member of the class of benzimidazoles that is the amide obtained by formal condensation of the carboxy group of 3-(2-cyclohexylbenzimidazol-1-yl)propanoic acid with the amino group of (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine. An inhibitor of teichoic acid biosynthesis. It has a role as a teichoic acid biosynthesis inhibitor. It is a member of benzimidazoles, a monocarboxylic acid amide and a bridged compound.
The molecule CC(C)c1cc2[C@H](O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)c2cc1O CC(C)c1cc2[C@H](O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)c2cc1O is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as abietane diterpenoid , diterpene lactone , tetracyclic diterpenoid .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](OC)[C@H]1O)C(=O)N[C@H](C)C(=O)N[C@@H](C)CO[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]1O)OC CCCCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](OC)[C@H]1O)C(=O)N[C@H](C)C(=O)N[C@@H](C)CO[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]1O)OC is A glycopeptidolipid antigen isolated from Mycobacterium peregrinum. It has the role of antigen . It is also related to or classified as glycopeptidolipid .
The molecule Cc1ccc(C(O)=O)c(C)c1 Cc1ccc(C(O)=O)c(C)c1 is A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 4. It has the role of metabolite . Its functional parent is benzoic acid . It is a conjugate acid of 2,4-dimethylbenzoate . It is also related to or classified as dimethylbenzoic acid .
The molecule N(C(=O)CCCCCCCCCCCCCCC)[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)CO[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O[C@@H]3[C@@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O)[C@H]([C@@H](CO)O3)O)O)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO N(C(=O)CCCCCCCCCCCCCCC)[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)CO[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O[C@@H]3[C@@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O)[C@H]([C@@H](CO)O3)O)O)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO is an N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide in which the ceramide N-acyl group is specified as hexadecanoyl. It is also related to or classified as N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide  .
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])C(=O)C=C5C=CCC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C [H][C@]12CC[C@@]3([H])[C@]4([H])C(=O)C=C5C=CCC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C is Kibalaurifenone. It has the role of metabolite . It is also related to or classified as steroid lactone .
The molecule C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O is a member of the class of chromanes that is 2,2'-iminodiethanol in which one hydrogen attached to each hydroxy-bearing carbon is replaced by a 6-fluorochroman-2-yl group. It is an organofluorine compound, a secondary amino compound, a secondary alcohol, a diol and a member of chromanes.
The molecule CC(C)c1cc2[C@@H](O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)c2cc1O CC(C)c1cc2[C@@H](O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)c2cc1O is an  abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as abietane diterpenoid , diterpene lactone , tetracyclic diterpenoid .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S is A thiouridine in which the oxygen replaced by sulfur is that at C-2. It is also related to or classified as thiouridine , nucleoside analogue .
The molecule NC(CC1CCC(O)C=C1)C(O)=O NC(CC1CCC(O)C=C1)C(O)=O is an alpha-amino acid that is alanine substituted at position 3 by a 4-hydroxycyclohex-2-en-1-yl group. It is also related to or classified as secondary alcohol  . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule CP(=O)([O-])OC1=CC=C(C=C1)[N+](=O)[O-] is a C-nitro compound that is a phosphonate transition state analogue with affinity for catalytic antibody (esterase) CNJ206. It has a role as an epitope. It is a C-nitro compound and an organophosphonate oxoanion.
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])C=CC5=C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)N(C)C(C)=O [H][C@]12CC[C@@]3([H])[C@]4([H])C=CC5=C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)N(C)C(C)=O is Kibalaurifoline. It has the role of metabolite . It is also related to or classified as steroid  .
The molecule [65Zn] is a zinc atom in which the nucleus contains 35 neutrons. It has a half-life of 244 days, decaying by emission of a positron (beta(+) decay), and is the most abundant and stable of the 25 known radioisotopes of zinc.
The molecule CC(C)c1cc2CC[C@H]3[C@]4(C)CCC[C@]3(C(=O)OC4)c2cc1O CC(C)c1cc2CC[C@H]3[C@]4(C)CCC[C@]3(C(=O)OC4)c2cc1O is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as abietane diterpenoid , diterpene lactone , tetracyclic diterpenoid .
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](OC[C@H]3O[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](OC[C@H]3O[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O is an arabinotetraose in which the four arabinofuranose residues are in a beta(1->2), alpha(1->5) and alpha(1->5) linear sequence (with alpha-configuration at the reducing end). Corresponds to part of the lipoarabinomannam from Mycobacterium leprae and M. tuberculosis. It has the role of epitope . It is also related to or classified as arabinotetraose  .
The molecule C1(=CC=C(N=C1)OC2=CC=C(C=C2)OC(C(OCCCC)=O)C)C(F)(F)F C1(=CC=C(N=C1)OC2=CC=C(C=C2)OC(C(OCCCC)=O)C)C(F)(F)F is A carboxylic ester resulting from the formal condensation of the carboxy group 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of butan-1-ol. Its functional parent is butan-1-ol . Its functional parent is 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid .  It is also related to or classified as carboxylic ester  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as pyridines , aromatic ether .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)c2ccccc2c1O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)c2ccccc2c1O is A 2-demethylmenaquinol having a side chain composed of seven isoprenoid units. It is also related to or classified as 2-demethylmenaquinol .
The molecule C=1C(C2=CN=C(N2)[C@]3(N(CCC3)C([C@H](C(C)C)NC(=O)OC)=O)[H])=CC4=C(C1)N5C(=C4)C=6C=CC(=CC6O[C@H]5C=7C=CC=CC7)C=8NC(=NC8)[C@@]9(CCCN9C(=O)[C@@H](NC(=O)OC)C(C)C)[H] C=1C(C2=CN=C(N2)[C@]3(N(CCC3)C([C@H](C(C)C)NC(=O)OC)=O)[H])=CC4=C(C1)N5C(=C4)C=6C=CC(=CC6O[C@H]5C=7C=CC=CC7)C=8NC(=NC8)[C@@]9(CCCN9C(=O)[C@@H](NC(=O)OC)C(C)C)[H] is A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. It has the role of antiviral drug . It has the role of hepatoprotective agent . It has the role of hepatitis C virus nonstructural protein 5A inhibitor . It is also related to or classified as carbamate ester , imidazoles , ring assembly , organic heterotetracyclic compound , N-acylpyrrolidine , L-valine derivative .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of alpha-D-galactose 1-phosphate; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an organophosphate oxoanion and a monosaccharide 1-phosphate(2-). It is a conjugate base of an alpha-D-galactose 1-phosphate. It is an enantiomer of an alpha-L-galactose 1-phosphate(2-).
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)NC(C)=O [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)NC(C)=O is N-acetylgitingensine. It has the role of metabolite . It is also related to or classified as steroid  .
The molecule CC[C@H](CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)[O-])O is a 18-HETE(1-) that is the conjugate base of 18(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate base of a 18(R)-HETE.
The molecule CC(C)C1=C[C@]23O[C@H]2[C@H]2OC(=O)[C@@]4(CCCC(C)(C)[C@H]24)C3=CC1=O CC(C)C1=C[C@]23O[C@H]2[C@H]2OC(=O)[C@@]4(CCCC(C)(C)[C@H]24)C3=CC1=O is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as epoxide  . It is also related to or classified as cyclic terpene ketone , abietane diterpenoid , diterpene lactone .
The molecule CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC is Isradipine. It is also related to or classified as methyl ester  . It is also related to or classified as isopropyl ester  .  It is also related to or classified as dihydropyridine  . It is also related to or classified as benzoxadiazole .
The molecule OCCc1ccccc1O OCCc1ccccc1O is A phenol that is 2-phenylethanol in which the phenyl ring is substituted at position 2 by a hydroxy group. It has the role of metabolite . Its functional parent is 2-phenylethanol . It is also related to or classified as phenols  .
The molecule C(C(C(=O)O)O)(C(=O)O)N is a hydroxy-amino acid that is aspartic acid in which one of the methylene hydrogens has been replaced by a hydroxy group. It is a hydroxy-amino acid, an amino dicarboxylic acid, a C4-dicarboxylic acid and an aspartic acid derivative.
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)NC [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)NC is N-methylgitingensine. It has the role of metabolite . It is also related to or classified as steroid  .