anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4 is 1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-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-9-yl]methyl]-1-methyl-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=1C=C(C=CC1C[C@](O)(C([O-])=O)[C@H](OC(/C=C/C=2C=C(C(=C(C2)OC)O)OC)=O)C([O-])=O)O C=1C=C(C=CC1C[C@](O)(C([O-])=O)[C@H](OC(/C=C/C=2C=C(C(=C(C2)OC)O)OC)=O)C([O-])=O)O is conjugate base of cimicifugic acid J; major microspecies at pH 7.3. Its functional parent is (2R,3S)-piscidate .  It is also related to or classified as carboxylic acid anion  . It is also related to or classified as benzenes .
The molecule O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O is A nucleoside 5'-diphosphate(3-) arising from deprotonation of the diphosphate OH groups of uridine 5'-diphosphate (UDP); major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as nucleoside 5'-diphosphate(3-)  .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O is the neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate). It has the role of fundamental metabolite . It is a conjugate acid of dTMP(-) . It is also related to or classified as thymidine 5'-monophosphate .
The molecule C1CN(CCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O is an ether that is (S)-(4-chlorophenyl)(pyridin-2-yl)methanol in which the hydroxyl hydrogen is substituted by a 1-(3-carboxypropyl)piperidin-4-yl group. A topical, selective and non-sedating histamine (H1) receptor antagonist used (as its benzenesulfonate salt) for treatment of itching associated with allergic conjunctivitis. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is a member of pyridines, a monocarboxylic acid, a member of piperidines, an ether and a member of monochlorobenzenes. It is a conjugate base of a bepotastine(1+).
The molecule C1=CC(=CC=C1C(=O)CC(=O)C2=C(C=C(C=C2)O)O)O is a beta-diketone that is acetylacetone in which a 4-hydroxyphenyl group and a 2,4-dihydroxyphenyl group replace the two methyl groups. It is a beta-diketone, a member of resorcinols, a member of dihydrochalcones and an aromatic ketone. It is a conjugate acid of a licodione(1-).
The molecule C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C)OS(=O)(=O)[O-])C.[Na+].[Na+].[Na+] is an organic sodium salt that is the trisodium salt of halistanol sulfonic acid G. Isolated from the marine sponge Pseudaxinyssa digitata, it exhibits anti-HIV activity. It has a role as a metabolite, an anti-HIV-1 agent and an anti-HIV-2 agent. It contains a halistanol sulfate G(3-).
The molecule CCCCCCCCC(=O)C(O)=O CCCCCCCCC(=O)C(O)=O is A 2-oxo monocarboxylic acid that is decanoic acid carrying an oxo group at position 2. It has the role of plant metabolite . It has the role of algal metabolite . Its functional parent is decanoic acid . It is a conjugate acid of 2-oxodecanotate . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3 is N-[(3S,9S,10S)-9-[[benzenesulfonyl(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-(dimethylamino)butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O is A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine. It has the role of geroprotector . It has the role of antioxidant . It has the role of cofactor . It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It has the role of skin lightening agent . It is a conjugate acid of glutathionate(1-) . It is also related to or classified as thiol  . It is also related to or classified as tripeptide  . It is also related to or classified as L-cysteine derivative .
The molecule CC1(C)CC2=C(C(C1)=O)C(C(F)(F)F)=NN2C=3C=CC(=C(C3)NC4CCC(CC4)O)C(=N)O CC1(C)CC2=C(C(C1)=O)C(C(F)(F)F)=NN2C=3C=CC(=C(C3)NC4CCC(CC4)O)C(=N)O is sNX-2112 is a heat shock protein 90 (Hsp90) inhibitor. It is also related to or classified as organic molecular entity .
The molecule O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)CC(=O)C(O)=O O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)CC(=O)C(O)=O is A ketoaldonic acid phosphate consisting of 2-dehydro-3-deoxy-D-arabino-heptonic acid having a phospho group at the 7-position. It has the role of Escherichia coli metabolite . It is a conjugate acid of 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate . It is also related to or classified as ketoaldonic acid phosphate .
The molecule C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F is the organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions. It has a role as an agrochemical, a protein-sequencing agent, an EC 2.7.3.2 (creatine kinase) inhibitor, an allergen, a chromatographic reagent and a spectrophotometric reagent. It is a C-nitro compound and an organofluorine compound.
The molecule C(CC(=O)[O-])[C@@H](C(=O)[O-])O is a 2-hydroxyglutarate(2-) that has (2S)-configuration. It is a conjugate base of a (S)-2-hydroxyglutaric acid. It is an enantiomer of a (R)-2-hydroxyglutarate(2-).
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[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)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)CO)O)O)O is a branched amino tetrasaccharide consisting of a sialyl residue, linked (2->3) to a galactosyl residue that in turn is linked (1->3) to a glucosaminyl residue at the reducing end, which is also carrying a fucosyl residue at the 4-position. It has a role as an epitope.
The molecule CCCCCCCCCCCC(O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O CCCCCCCCCCCC(O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O is A UDP-amino sugar having 3-O-(3-hydroxytetradecanoyl)-N-acetyl-beta-glucosamine as the sugar component. Its functional parent is UDP-alpha-D-glucosamine . It is a conjugate acid of UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-beta-glucosamine(2-) . It is also related to or classified as UDP-amino sugar .
The molecule c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 is an ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It has the role of carcinogenic agent . It has the role of mouse metabolite . It is also related to or classified as ortho- and peri-fused polycyclic arene .
The molecule Cn1c2[nH]cnc2c(=O)[nH]c1=N Cn1c2[nH]cnc2c(=O)[nH]c1=N is A 3-methylguanine that is 1,2,3,9-tetrahydro-6H-purin-6-one substituted by an imino group at position 2 and a methyl group at position 3. It is also related to or classified as 3-methylguanine  .
The molecule CCCCCCCC[C@@H]([C@H](CCCCCCCC(=O)[O-])OP(=O)([O-])[O-])O is trianion of (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid arising from deprotonation of carboxylic acid and phosphate functions. It is an organophosphate oxoanion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid.
The molecule C1=C(OC=C1COP(=O)(O)O)CN is a member of the class of furans that is 2-furylmethylamine substituted at position 4 by a phosphooxymethyl group. It has a role as a bacterial metabolite. It is an organic phosphate, a member of furans and a primary amino compound. It is a conjugate acid of a [5-(ammoniomethyl)-3-furyl]methyl phosphate(1-).
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O)NC(=O)C)CO)O)O)O)O)O is an amino trisaccharide consisting of alpha-L-fucopyranose, beta-D-galactopyranose and N-acetyl-beta-D-galactopyranosamine residues joined in sequence with a (1->2)- and a (1->3)-linkage, respectively; alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-GalpNAc in which the configuration at the reducing-end anomeric centre is beta. It is an amino trisaccharide, a galactosamine oligosaccharide and an alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-GalpNAc.
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl is 1-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2S)-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]-3-(4-methoxyphenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN1CCC[C@@H]1c1ccc(O)nc1 CN1CCC[C@@H]1c1ccc(O)nc1 is (R)-6-hydroxynicotine. Its functional parent is (R)-nicotine . It is also related to or classified as 6-hydroxynicotine  .
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)NC(C)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)NC(C)C)C is (4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxopropylamino)-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]12CN(C)[C@]([H])(C[NH2+]1)CC1=C[C@@]([H])(C(=O)CC1)[C@@]1([H])C=C(CCC1=O)C2 [H][C@]12CN(C)[C@]([H])(C[NH2+]1)CC1=C[C@@]([H])(C(=O)CC1)[C@@]1([H])C=C(CCC1=O)C2 is A secondary ammonium ion that is the conjugate acid of herquline C resulting from the protonation of the secondary amino group; Major species at pH 7.3. It is a conjugate acid of herquline C . It is also related to or classified as secondary ammonium ion  .
The molecule COC1=CC=C(\C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1O COC1=CC=C(\C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1O is A rhaponticin in which the double bond adopts a cis-configuration. It has the role of plant metabolite . It has the role of phytoestrogen . It is also related to or classified as rhaponticin  .
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC(=CC=C3)F)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC(=CC=C3)F)C is N-[(4S,7S,8R)-5-[(3-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCC(C)CC)O is a sphingomyelin obtained by formal condensation of the carboxy group of hexacosanoic acid with the amino group of 14-methylhexadecasphinganine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It derives from a hexacosanoic acid.
The molecule C1C(=O)C2=C(C=C(C=C2OC1(C3=CC=C(C=C3)O)O)O)O is a tetrahydroxyflavanone carrying the hydroxy groups at positions 2, 4', 5 and 7. It has a role as a plant metabolite. It is a tetrahydroxyflavanone and a member of 2-hydroxyflavanones.
The molecule C(CC(=O)O)[C@@H](C(=O)O)NC(=O)CN is a dipeptide formed from glycyl and L-glutamic acid residues. It has a role as a metabolite. It is a conjugate acid of a Gly-Glu(1-).
The molecule CCN(CC)C(=O)C(\C#N)=C\c1cc(OC)c(O)c(c1)[N+]([O-])=O CCN(CC)C(=O)C(\C#N)=C\c1cc(OC)c(O)c(c1)[N+]([O-])=O is A C-nitro compound that is entacapone in which the phenolic hydroxy group that is meta to the nitro group has been converted into the corresponding methyl ether. Its functional parent is entacapone . Its functional parent is 5-nitrovanillin . It is also related to or classified as nitrile  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as aromatic ether , 2-nitrophenols .
The molecule Clc1cc(Cl)c(Cl)c(Cl)c1Cl Clc1cc(Cl)c(Cl)c(Cl)c1Cl is A member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by chlorines. Now classed as a persistent organic pollutant under the Stockholm Convention. It has the role of persistent organic pollutant . It is also related to or classified as pentachlorobenzenes .
The molecule C1[C@@H](NC[C@@H]([NH2+]1)CC=2C=CC(=CC2)O)CC=3C=CC(=CC3)O C1[C@@H](NC[C@@H]([NH2+]1)CC=2C=CC(=CC2)O)CC=3C=CC(=CC3)O is an ammonium ion derivative resulting from the protonation of one of the amino groups of (S,S)-2,5-di-(p-hydroxybenzyl)piperazine. The major species at pH 7.3. It is a conjugate acid of (S,S)-2,5-di-(p-hydroxybenzyl)piperazine . It is also related to or classified as ammonium ion derivative .
The molecule C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 is A secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group. It has the role of calcimimetic . It has the role of P450 inhibitor . It is also related to or classified as naphthalenes , secondary amino compound , (trifluoromethyl)benzenes .
The molecule CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2CO)C(=O)C3=CC=CC=C3)CNC(C)C CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2CO)C(=O)C3=CC=CC=C3)CNC(C)C is LSM-39565. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O is A hydroxybenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxybenzoic acid. Its functional parent is benzoyl-CoA . Its functional parent is salicylic acid . It is a conjugate acid of 2-hydroxybenzoyl-CoA(4-) . It is also related to or classified as hydroxybenzoyl-CoA .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4 is N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=[13C]=O O=[13C]=O is A (13)C-modified compound that is carbon dioxide in which the carbon is present as its (13)C isotope. It has the role of diagnostic agent . It is also related to or classified as gas molecular entity , (13)C-modified compound , carbon oxide , one-carbon compound .
The molecule C/C(=C(\\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O is an enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the anilino group of 4-(trifluoromethyl)aniline. Used for the treatment of relapsing forms of multiple sclerosis and rheumatoid arthritis. It has a role as an EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor, a tyrosine kinase inhibitor, a hepatotoxic agent, a drug metabolite and a non-steroidal anti-inflammatory drug. It is a nitrile, an enol, an aromatic amide, an enamide, a member of (trifluoromethyl)benzenes and a secondary carboxamide.
The molecule C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)O)C)C)OC1 is a spirostanyl glycoside that is agigenin attached to a pentasaccharide unit via a glycosidic linkage. Isolated from the flowers of Allium leucanthum, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a pentasaccharide derivative, a spirostanyl glycoside and a 2alpha-hydroxy steroid. It derives from an agigenin.
The molecule CCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC1=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 17 and 18. It has a role as a mouse metabolite, a plant metabolite and a rat metabolite.
The molecule O1C(C(O)C(O)C(O)C1OC=2C(OC)=C3OC(=CC(=O)C3=C(O)C2OC)C4=CC(OC)=C(O)C=C4)COC(=O)CC(O)(COC=O)C O1C(C(O)C(O)C(O)C1OC=2C(OC)=C3OC(=CC(=O)C3=C(O)C2OC)C4=CC(OC)=C(O)C=C4)COC(=O)CC(O)(COC=O)C is Sudachiin C. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [Ar] [Ar] is A trace radioisotope of argon with atomic mass of 38.964313 and a half-life of 269 years. It has the role of isotopic tracer . It is also related to or classified as argon atom  .
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CN=CC=C3 C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CN=CC=C3 is N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCNC(=O)N1CC2(C1)[C@@H]([C@H](N2C(=O)C3=CC=NC=C3)CO)C4=CC=CC=C4 CCCNC(=O)N1CC2(C1)[C@@H]([C@H](N2C(=O)C3=CC=NC=C3)CO)C4=CC=CC=C4 is (2S,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [O-]C(=O)[C@@H]1CCC=N1 [O-]C(=O)[C@@H]1CCC=N1 is A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (S)-1-pyrroline-5-carboxylic acid. It is also related to or classified as 1-pyrroline-5-carboxylate  .
The molecule CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO is an ultra-long-chain primary fatty alcohol consisting of a C27 chain with a hydroxy group at C-1 and with methyl branches at C-4, -8, -12, -16 and -20, all with S stereochemistry. It is also related to or classified as ultra-long-chain primary fatty alcohol  .
The molecule CC1=C(/C(=C/C2=C(C(=C(N2)/C=C\\3/C(=C(/C(=C/C4=NC(=O)C(=C4C)C=C)/N3)C=C)C)C)CCC(=O)O)/NC1=O)CCC(=O)O is a linear tetrapyrrole obtained by the enzymic degradation of heme by Pseudomonas aeruginosa heme oxygenase. It is a dicarboxylic acid and a linear tetrapyrrole. It is a conjugate acid of a biliverdin beta(2-).
The molecule CC(C)C[C@@H]1C2=C(C(=C(C(=C2O[C@@H]3[C@@]1(CC[C@@]4([C@H]3C(=C(C)C)CCC4=C)O)C)C=O)O)C=O)O is an organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a member of benzaldehydes, a cyclic ether, an organic heterotetracyclic compound, a member of resorcinols and a tertiary alcohol.
The molecule CC(C)[C@H]1CCC(=C2[C@@H]1C[C@@](CC2)(C)O)CO is a cadinane sesquiterpenoid that is 1,2,3,4,6,7,8,8a-octahydronaphthalen-2-ol substituted by hydroxymethyl group at position 5, isopropyl group at position 8 and a methyl group at position 2 (the 2S,8R,8aR stereoisomer). Isolated from the culture broth of Tyromyces chioneus, it exhibits anti-HIV-1 activity. It has a role as a metabolite and an anti-HIV-1 agent. It is a cadinane sesquiterpenoid, a tertiary alcohol, a secondary alcohol and a carbobicyclic compound.
The molecule OC[C@H]1C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O OC[C@H]1C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A member of the class of validamycins that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which the hydroxy group at position 1 has been converted to its beta-D-glucoside and in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It is the major validamycin produced by Streptomyces hygroscopicus. It has the role of EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor . It has the role of EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor . It has the role of EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as secondary amino compound , validamycins , antibiotic fungicide , polyol .
The molecule O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3OC)C4=CC(OC)=C(O)C=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3OC)C4=CC(OC)=C(O)C=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C is Limocitrin 3-rutinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O is A thymidine phosphate having a triphosphate group at the 5'-position. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of dTTP(3-) . It is also related to or classified as thymidine phosphate , pyrimidine 2'-deoxyribonucleoside 5'-triphosphate .
The molecule OC(=O)[C@H]1CCCNC1 OC(=O)[C@H]1CCCNC1 is the (S)-enantiomer of nipecotic acid. It is also related to or classified as nipecotic acid  .
The molecule CC1(C2=CC=CC=C2N(C1=CC=NNC(=O)C3=CC=CC=C3Br)C)C CC1(C2=CC=CC=C2N(C1=CC=NNC(=O)C3=CC=CC=C3Br)C)C is 2-bromo-N-[2-(1,3,3-trimethyl-2-indolylidene)ethylideneamino]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CN1CCC[C@H]1c1ccc(O)nc1 CN1CCC[C@H]1c1ccc(O)nc1 is (S)-6-hydroxynicotine. Its functional parent is (S)-nicotine . It is also related to or classified as 6-hydroxynicotine  .
The molecule C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)CN is a tripeptide composed of glycine, L-alanine and L-alanine residues joined in sequence by peptide linkages. It derives from a L-alanine and a glycine.
The molecule [H][C@]12CN(C)[C@]([H])(CN1)CC1=C[C@@]([H])(C(=O)CC1)[C@@]1([H])C=C(CCC1=O)C2 [H][C@]12CN(C)[C@]([H])(CN1)CC1=C[C@@]([H])(C(=O)CC1)[C@@]1([H])C=C(CCC1=O)C2 is herquline C. It has the role of Penicillium metabolite . It is also related to or classified as alkaloid  . It is also related to or classified as organic heterotetracyclic compound , cyclic ketone , secondary amino compound , tertiary amino compound .
The molecule CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(O)(O)=O CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(O)(O)=O is A phospholipid that is the 4,8,12,16,20-pentamethylheptacosyl ester of phosphoric acid. It is also related to or classified as phospholipid  .