mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> is A member of the family of dapdiamides consisting of alanylvaline in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is also related to or classified as primary carboxamide . It is also related to or classified as secondary carboxamide . It is also related to or classified as enamide . It is also related to or classified as dapdiamide.
The molecule <smiles>CCCCCCCC(=O)OC[C@H](O)CO</smiles> is A 3-acyl-sn-glycerol that has octanoyl as the 3-acyl group. It is also related to or classified as 3-acyl-sn-glycerol . It is also related to or classified as 1-monooctanoylglycerol .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is tricosanoic acid substituted by a hydroxy group at position 2. It has the role of animal metabolite. It has the role of marine metabolite. Its functional parent is tricosanoic acid. It is a conjugate acid of 2-hydroxytricosanoate. It is also related to or classified as 2-hydroxy fatty acid .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide C; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as peptide zwitterion.
The molecule <smiles>N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O</smiles> is an alanine derivative that is L-alanine bearing a 5-oxo-7-oxabicyclo[4.1.0]hept-2-yl substituent at position 3. It has the role of antimicrobial agent. It has the role of antimetabolite. It has the role of bacterial metabolite. It has the role of EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor. It is also related to or classified as epoxide . It is also related to or classified as alicyclic ketone, non-proteinogenic L-alpha-amino acid, L-alanine derivative.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)C(O)=O</smiles> is an ultra-long-chain fatty acid that is (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoic acid substituted at position 2 by a hydroxy group. Its functional parent is (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoic acid. It is a conjugate acid of (12Z,15Z,18Z,21Z,24Z)-2-hydroxytriacontapentaenoate. It is also related to or classified as 2-hydroxy fatty acid .  It is also related to or classified as ultra-long-chain fatty acid . It is also related to or classified as hydroxy polyunsaturated fatty acid.
The molecule <smiles>N[C@@H](CSc1cc(C[C@H](N)C(O)=O)c(SC[C@H](N)C(O)=O)c(O)c1O)C(O)=O</smiles> is an L-tyrosine derivative that is L-DOPA in which the hydrogens at positions 2 and 5 on the phenyl ring are replaced by cysteinyl groups. Found in the urine of patients with melanoma. It has the role of human urinary metabolite. Its functional parent is L-dopa.   It is also related to or classified as catechols .  It is also related to or classified as triamine . It is also related to or classified as tricarboxylic acid, L-tyrosine derivative, aryl sulfide, S-organyl-L-cysteine, S-conjugate.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)C(O)=O</smiles> is an ultra-long-chain fatty acid that is (13Z,16Z,19Z,22Z)-octacosatetraenoic acid substituted at position 2 by a hydroxy group. Its functional parent is (13Z,16Z,19Z,22Z)-octacosatetraenoic acid. It is a conjugate acid of (13Z,16Z,19Z,22Z)-2-hydroxyoctacosatetraenoate. It is also related to or classified as 2-hydroxy fatty acid .  It is also related to or classified as ultra-long-chain fatty acid . It is also related to or classified as hydroxy polyunsaturated fatty acid.
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide A; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as peptide zwitterion.
The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> is A member of the family of dapdiamides consisting of alanylisoleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is also related to or classified as primary carboxamide . It is also related to or classified as secondary carboxamide . It is also related to or classified as enamide . It is also related to or classified as dapdiamide.
The molecule <smiles>CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1</smiles> is A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. It has the role of antineoplastic agent. It has the role of mTOR inhibitor.  It is also related to or classified as organofluorine compound . It is also related to or classified as quinolines, pyridoquinoline, N-acylpiperazine, N-arylpiperazine.
The molecule <smiles>N[C@@H](CNC(=O)\C=C\C(O)=O)C(O)=O</smiles> is an L-alanine derivative obtained by formal condensation of one of the carboxy groups of fumaric acid with the side-chain amino group of 3-amino-L-alanine. It has the role of bacterial metabolite. Its functional parent is 3-amino-L-alanine. Its functional parent is fumaric acid. It is a conjugate acid of N(3)-fumaroyl-(S)-2,3-diaminopropanoate. It is also related to or classified as secondary carboxamide .  It is also related to or classified as enamide . It is also related to or classified as dicarboxylic acid monoamide, non-proteinogenic L-alpha-amino acid, L-alanine derivative.
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> is A member of the family of dapdiamides consisting of alanylleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is also related to or classified as primary carboxamide . It is also related to or classified as secondary carboxamide . It is also related to or classified as enamide . It is also related to or classified as dapdiamide.
The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide B; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as peptide zwitterion.
The molecule <smiles>Cl.Cl.NC(=N)NCCCCCCCCCCNC(N)=N</smiles> is A hydrochloride resulting from the reaction of decamethylenediguanidine with 2 mol eq. of hydrogen chloride. It has the role of hypoglycemic agent. It has the role of hepatotoxic agent. It has the role of nephrotoxic agent. It is also related to or classified as hydrochloride, guanidinium salt.
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with margaric acid. It has the role of mouse metabolite. Its functional parent is heptadecanoic acid. It is also related to or classified as cholesteryl ester .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCC(O)C([O-])=O</smiles> is A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxynervonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (15Z)-tetracosenoate. It is also related to or classified as 2-hydroxy fatty acid anion 24:1 .
The molecule <smiles>NC(=N)NCCCCCCCCCCNC(N)=N</smiles> is A member of the class of guanidines that is decane having guanidino groups at the 1- and 10-positions. It has the role of hypoglycemic agent. It has the role of hepatotoxic agent. It has the role of nephrotoxic agent. It is also related to or classified as guanidines.
The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with palmitoleic acid. It has the role of mouse metabolite. Its functional parent is palmitoleic acid. It is also related to or classified as CE(16:1) .
The molecule <smiles>NC(=[NH2+])NCCCCCCCCCCNC(N)=[NH2+]</smiles> is A guanidinium ion resulting from the protonation of the two imine nitrogens of synthalin A. It is a conjugate acid of synthalin A. It is also related to or classified as guanidinium ion .
The molecule <smiles>CCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with cis-9-heptadecenoic acid. It has the role of mouse metabolite. Its functional parent is (9Z)-heptadecenoic acid. It is also related to or classified as CE(17:1) .
The molecule <smiles>N[C@@H](CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> is an L-alanine derivative obtained by formal condensation of the carboxy group of fumaric acid monoamide with the side-chain amino group of 3-amino-L-alanine. It has the role of bacterial metabolite. Its functional parent is 3-amino-L-alanine. Its functional parent is fumaric acid. It is also related to or classified as primary carboxamide . It is also related to or classified as secondary carboxamide . It is also related to or classified as enamide . It is also related to or classified as L-alanine derivative.
The molecule <smiles>NC(Cc1cc(O)c2NC(=O)CSc2c1)C(O)=O</smiles> is A member of the class of benzothiazines that is 3,4-dihydro-2H-1,4-benzothiazin-3-one bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively. It has the role of human metabolite. It is also related to or classified as lactam . It is also related to or classified as phenols . It is also related to or classified as benzothiazine, non-proteinogenic alpha-amino acid.
The molecule <smiles>NC(Cc1cc(O)c2ncsc2c1)C(O)=O</smiles> is A member of the class of benzothiazoles bearing hydroxy and 2-amino-2-carboxyethyl substituents at positions 4 and 6 respectively. It has the role of human metabolite. It is also related to or classified as phenols . It is also related to or classified as benzothiazoles, non-proteinogenic alpha-amino acid.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with all-cis-icosa-8,11,14-trienoic acid. It has the role of mouse metabolite. Its functional parent is all-cis-icosa-8,11,14-trienoic acid. It is also related to or classified as cholesteryl icosatrienoate .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2OS([O-])(=O)=O)C1OC(=O)CCCCCCCCCCCCCCC</smiles> is an organosulfate oxoanion that is the conjugate base of 2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O</smiles> is A pyrazole obtained by cyclocodensation of the two carbonyl groups of curcumin with hydrazine. It has the role of antineoplastic agent. It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It has the role of angiogenesis modulating agent. It has the role of EC 2.3.1.48 (histone acetyltransferase) inhibitor. Its functional parent is curcumin. It is also related to or classified as polyphenol, pyrazoles, aromatic ether, olefinic compound.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2OC(COC(=O)CCCCCCCCCCCCCCCCC)C(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)C(OS([O-])(=O)=O)C(O)C1O</smiles> is an organosulfate oxoanion that is the conjugate base of 2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>[NH3+][C@@H](CNC(=O)\C=C\C([O-])=O)C([O-])=O</smiles> is an alpha-amino-acid anion that is the conjugate base of N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3. It is also related to or classified as alpha-amino-acid anion.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC</smiles> is A polyacyl alpha,alpha-trehalose derivative that is 2'-sulfo-alpha,alpha-trehalose carrying palmitoyl and stearoyl groups at positions 2 and 3 respectively. It has the role of bacterial metabolite. It is a conjugate acid of 2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose(1-). It is also related to or classified as sulfoglycolipid, trehalose sulfate, polyacyl alpha,alpha-trehalose derivative.
The molecule <smiles>CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1</smiles> is A member of the class of ureas that is 1H-imidazole-1-carboxamide substituted by a propyl and a 2-(2,4,6-trichlorophenoxy)ethyl group at the amino nitrogen atom. A fungicide active against a wide range of diseases affecting field crops, fruit, turf and vegetables. It has the role of xenobiotic. It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor. It has the role of environmental contaminant. It has the role of antifungal agrochemical. It is also related to or classified as trichlorobenzene . It is also related to or classified as aromatic ether, ureas, amide fungicide, conazole fungicide, imidazole fungicide, imidazoles.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid. It has the role of mouse metabolite. Its functional parent is alpha-linolenic acid. It is also related to or classified as cholesteryl octadecatrienoate .
The molecule <smiles>O[C@@H]1CC=C(CC(=O)C(O)=O)C=C1</smiles> is A 3,4-dihydro-4-hydroxyphenylpyruvic acid having R-configuration. It is a conjugate acid of (4R)-3,4-dihydro-4-hydroxyphenylpyruvate. It is also related to or classified as 3,4-dihydro-4-hydroxyphenylpyruvic acid .
The molecule <smiles>COC(=O)Cc1cc2C(=O)c3cccc([O-])c3C(=O)c2c(O)c1C(=O)CC(C)=O</smiles> is A phenolate anion resulting from the removal of a proton from the phenolic hydroxy group at position 5 of methyl nogalonate. The major species at pH 7.3. It is also related to or classified as phenolate anion.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)[C@H](OS(O)(=O)=O)[C@@H](O)[C@@H]1O</smiles> is A polyacyl alpha,alpha-trehalose derivative that is 2'-sulfo-alpha,alpha-trehalose carrying a palmitoyl group at position 2 and three stearoyl groups at positions 3, 6 and 6'. It has the role of bacterial metabolite. It is a conjugate acid of 2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose(1-). It is also related to or classified as sulfoglycolipid, trehalose sulfate, polyacyl alpha,alpha-trehalose derivative.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with  behenic acid. It has the role of mouse metabolite. Its functional parent is docosanoic acid. It is also related to or classified as cholesteryl ester .
The molecule <smiles>O[C@@H]1CC\C(=C/C(=O)C([O-])=O)C=C1</smiles> is 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate obtained by deprotonation of the carboxy group of 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate .
The molecule <smiles>NC(=O)\C=C\C(=O)NC[C@H]([NH3+])C([O-])=O</smiles> is an L-alpha-amino acid zwitterion that results from the transfer of a proton from the carboxylic acid group to the alpha-amino group of N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion .
The molecule <smiles>CC(=O)C(O)C(=O)COP([O-])([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 3-hydroxy-2,4-pentanedione 5-phosphate; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>O[C@@H]1CC\C(=C/C(=O)C([O-])=O)[C@H]2O[C@@H]12</smiles> is A 2-oxo monocarboxylic acid anion that is the conjugate base of (3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvic acid, obtained by deprotonation of the carboxy group. It has the role of bacterial metabolite. It is also related to or classified as 2-oxo monocarboxylic acid anion .
The molecule <smiles>CC(=O)C(O)C(=O)COP(O)(O)=O</smiles> is A phosphate monoester that is 1,3-dihydroxypentane-2,4-dione carrying a phospho at position 1. It has the role of bacterial metabolite. It is a conjugate acid of 3-hydroxy-2,4-dioxopentyl phosphate(2-). It is also related to or classified as secondary alpha-hydroxy ketone .   It is also related to or classified as phosphate monoester . It is also related to or classified as secondary alcohol . It is also related to or classified as methyl ketone, beta-diketone.
The molecule <smiles>N[C@@H](C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12)C(O)=O</smiles> is an L-alanine derivative in which one of the methyl hydrogens of L-alanine is replaced by a 5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl group. It has the role of bacterial metabolite. It is also related to or classified as epoxide . It is also related to or classified as secondary alcohol . It is also related to or classified as oxabicycloalkane, non-proteinogenic L-alpha-amino acid, L-alanine derivative.
The molecule <smiles>O[C@@H]1CC[C@@H](CC(=O)C([O-])=O)[C@H]2O[C@@H]12</smiles> is A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as 2-oxo monocarboxylic acid anion .
The molecule <smiles>O[C@@H]1CC[C@@H](CC(=O)C(O)=O)[C@H]2O[C@@H]12</smiles> is A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is replaced by a 5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl group (the 1R,2S,5R,6S stereoisomer). It has the role of bacterial metabolite. Its functional parent is pyruvic acid. It is a conjugate acid of 3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate. It is also related to or classified as epoxide . It is also related to or classified as secondary alcohol . It is also related to or classified as 2-oxo monocarboxylic acid . It is also related to or classified as oxabicycloalkane.
The molecule <smiles>OC[C@]1(O)CC(=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A member of the class of cyclitols that is valiolone in which the stererocentre at position 5 has been inverted. It has the role of bacterial metabolite. It is also related to or classified as cyclitol . It is also related to or classified as alicyclic ketone.
The molecule <smiles>COc1c2-c3[nH]c4ccc(Cl)cc4c3[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)n2c2ccccc12</smiles> is an organic heterohexacyclic compound that is cladoniamide B in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. It is also related to or classified as diol . It is also related to or classified as tertiary alcohol . It is also related to or classified as dicarboximide . It is also related to or classified as organochlorine compound . It is also related to or classified as organic heterohexacyclic compound, cladoniamide.
The molecule <smiles>O[C@@H]1CC\C(=C/C(=O)C(O)=O)C=C1</smiles> is A 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid having 1E,4R stereochemistry. It has the role of bacterial metabolite. It is a conjugate acid of 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvate. It is also related to or classified as 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid .
The molecule <smiles>CC(=O)NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O</smiles> is A member of the class of cyclohexenones that is (1R,5S,6R)-4-amino-5-hydroxy-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one in which one of the amino hydrogens is replaced by an acetyl group. It has the role of bacterial metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as tertiary alcohol . It is also related to or classified as acetamide . It is also related to or classified as epoxide .   It is also related to or classified as enone . It is also related to or classified as oxabicycloalkane, cyclohexenones.
The molecule <smiles>O[C@@H]1CC\C(=C/C(=O)C(O)=O)[C@H]2O[C@@H]12</smiles> is A 2-oxo monocarboxylic acid that is pyruvic acid in which two of the methyl hydrogens are replaced by a 5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene group (the 1R,5R,6S stereoisomer). It has the role of bacterial metabolite. Its functional parent is pyruvic acid. It is a conjugate acid of (3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvate. It is also related to or classified as epoxide . It is also related to or classified as secondary alcohol . It is also related to or classified as 2-oxo monocarboxylic acid .  It is also related to or classified as enone . It is also related to or classified as oxabicycloalkane.
The molecule <smiles>COc1c2-c3[nH]c4ccc(Cl)cc4c3[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)n2c2ccc(Cl)cc12</smiles> is 8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione which is substituted by chlorines at positions 2 and 10, hydroxy groups at positions 5a and 8a, a methoxy group at position 14, and a methyl group at position 7 (the 5aR,8aS diastereoisomer). It has been isolated from the culture broth of Streptomyces uncialis. It is also related to or classified as diol . It is also related to or classified as tertiary alcohol . It is also related to or classified as dicarboximide . It is also related to or classified as organochlorine compound . It is also related to or classified as organic heterohexacyclic compound, cladoniamide.
The molecule <smiles>[NH3+][C@@H](C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-dihydroanticapsin; major species at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion .
The molecule <smiles>COc1c2-c3[nH]c4ccccc4c3[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)n2c2ccccc12</smiles> is an organic heterohexacyclic compound that is cladoniamide B in which both of the chlorines are replaced by hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. It is also related to or classified as diol . It is also related to or classified as tertiary alcohol . It is also related to or classified as dicarboximide . It is also related to or classified as organic heterohexacyclic compound, cladoniamide.
The molecule <smiles>CNC(=O)[C@]1(O)c2c([nH]c3ccc(Cl)cc23)-c2c(OC)c3ccccc3n2C1=O</smiles> is an organic heteropentacyclic compound that is cladoniamide G in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. It is also related to or classified as secondary carboxamide . It is also related to or classified as lactam . It is also related to or classified as tertiary alcohol . It is also related to or classified as organochlorine compound . It is also related to or classified as organic heteropentacyclic compound, cladoniamide.