mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C[C@@H]1c2c(O[C@]1(C)CCC\C(C)=C/C(=O)C=C(C)C)c1ccc(O)cc1oc2=O</smiles> is A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as ketone .   It is also related to or classified as phenols . It is also related to or classified as furanocoumarin, sesquiterpenoid.
The molecule <smiles>O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1</smiles> is A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.  It is also related to or classified as phthalimides . It is also related to or classified as piperidones.
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC</smiles> is a phosphatidyl-L-serine in which the phosphatidyl acyl groups are both myristoyl. It is a phosphatidyl-L-serine and a tetradecanoate ester.
The molecule <smiles>C[C@@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@H]1C)-c1c(O)cc(O)c2c(O)c3c(cc12)oc(C)c(C)c3=O</smiles> is A  biaryl that is 2,3-dihydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2', 3 and 3'. It has been isolated from Chaetomium gracile. It has the role of Chaetomium metabolite. It is also related to or classified as phenols . It is also related to or classified as biaryl, benzochromenone.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)CC1=CC(=CC(=O)O1)O</smiles> is a 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and 2-oxohenicosyl groups respectively. It is a member of 2-pyranones, a ketone and a heteroaryl hydroxy compound.
The molecule <smiles>C[C@H]1c2c(O[C@]1(C)CCC\C(C)=C/C(=O)C=C(C)C)c1ccc(O)cc1oc2=O</smiles> is A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as ketone .   It is also related to or classified as phenols . It is also related to or classified as furanocoumarin, sesquiterpenoid.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC([O-])=O</smiles> is an ionic phospholipid obtained by deprotonation of the free carboxy group of 2-O-glutaroyl-1-O-palmitoyl-sn-glycero-3-phosphocholine; major species at pH 7.3. It is also related to or classified as anionic phospholipid.
The molecule <smiles>[H][C@@]1(CCC[C@H](C)O1)CC1Cc2cc(O)cc(O)c2C(=O)O1</smiles> is A member of the class of  isocoumarins that is 6,8-dihydroxy-3,4-dihydro-1H-isochromen-1-one substituted by a [6-methyltetrahydro-2H-pyran-2-yl]methyl group at position 3. It has been isolated from the fungus Chaetomium globosum and Aspergillus flavus. It has the role of antifungal agent. It has the role of antiplasmodial drug. It has the role of Aspergillus metabolite. It has the role of Chaetomium metabolite. It is also related to or classified as pyrans, resorcinols, isocoumarins.
The molecule <smiles>CC1=NC=C(C(=C1O)C=NCCCC[C@@H](C(=O)O)N)COP(=O)(O)O</smiles> is an L-lysine derivative that is the aldimine obtained via formal condensation of the side-chain amino group of L-lysine with the carbonyl group of pyridoxal phosphate. It is a L-lysine derivative, an organic phosphate, an aldimine, a member of methylpyridines and a monohydroxypyridine. It derives from a pyridoxal.
The molecule <smiles>C1(C(=O)NC(=O)N1)N=C(N)N</smiles> is an imidazolidine-2,4-dione substituted by a guanidino group at position 5. It is a member of guanidines and an imidazolidine-2,4-dione. It derives from a hydantoin.
The molecule <smiles>C[C@@H]1c2c(O[C@]1(C)CCC\C(C)=C\C(=O)C=C(C)C)c1ccc(O)cc1oc2=O</smiles> is A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as ketone .   It is also related to or classified as phenols . It is also related to or classified as furanocoumarin, sesquiterpenoid.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC([O-])=O</smiles> is an anionic phospholipid that is the conjugate base of 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine, obtained by deprotonation of the free carboxy group; major species at pH 7.3. It is also related to or classified as oxidized glycerophosphocholine zwitterion . It is also related to or classified as monocarboxylic acid anion . It is also related to or classified as anionic phospholipid.
The molecule <smiles>C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt+2]</smiles> is a platinum coordination entity with cis square-planar geometry in which platinum(II) is coordinated to two ammonia ligands and a bidentate cyclobutane-1,1-dicarboxylate ligand. It has a role as a mutagen and an antineoplastic agent. It contains a cyclobutane-1,1-dicarboxylate(2-).
The molecule <smiles>COc1cc(O)c2C(=O)c3c(O)cc(C)c(O)c3C(=O)c2c1</smiles> is A trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 4 and 5, a methoxy group at position 7 and a methyl group at position 2. It has been isolated from Chaetomium globosum and other fungal species. It has the role of fungal metabolite. It has the role of Chaetomium metabolite. It is also related to or classified as aromatic ether, trihydroxyanthraquinone.
The molecule <smiles>C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O</smiles> is an organic heteropentacyclic compound. It has a role as a mu-opioid receptor antagonist and an opioid analgesic. It derives from a hydride of a morphinan.
The molecule <smiles>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCC/C=C\\C/C=C\\CC=C)O</smiles> is a polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA; major species at pH 7.3. It is a polyunsaturated fatty acyl-CoA(4-) and a long-chain fatty acyl-CoA(4-). It is a conjugate base of a (9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA.
The molecule <smiles>C[C@H]1c2c(O[C@]1(C)CCC\C(C)=C\C(=O)C=C(C)C)c1ccc(O)cc1oc2=O</smiles> is A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor.   It is also related to or classified as phenols . It is also related to or classified as furanocoumarin, sesquiterpenoid, aromatic ketone.
The molecule <smiles>C[C@@H]1OC(O)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O</smiles> is A glycosylrhamnose consisting of L-rhamnose having an alpha-D-glucosyl residue attached at the 3-position. It is also related to or classified as glycosylrhamnose.
The molecule <smiles>C\C=C\CCCCc1c(O)cc(CC=C(C)C)c(O)c1C=O</smiles> is A member of the class of benzaldehydes that is benzaldehyde substituted by hydroxy groups at positions 3 and 6, a prenyl group at position 5 and a a hept-5-en-1-yl at position 2. Isolated from Chaetomium globosum and other fungal species, it exhibits radical scavenging activities. It has the role of radical scavenger. It has the role of fungal metabolite. It has the role of Chaetomium metabolite.  It is also related to or classified as hydroquinones . It is also related to or classified as benzaldehydes.
The molecule <smiles>C1=CC(=CC(=C1)O)CCC2=CC(=CC(=C2)O)O</smiles> is a diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 3' and 5. It has a role as a plant metabolite. It is a member of resorcinols, a polyphenol and a diphenylethane. It derives from a hydride of a 1,2-dihydrostilbene.
The molecule <smiles>NC(N)=NCCCCCCCN</smiles> is A member of the class of guanidines in which the imino hydrogen of guanidine itself has been replaced by a 7-aminoheptyl group. It is an inhibitor of deoxyhypusine synthase activity (GO:0034038). It has the role of EC 2.5.1.46 (deoxyhypusine synthase) inhibitor. It has the role of antineoplastic agent. It is also related to or classified as guanidines, primary amino compound.
The molecule <smiles>COc1ccc2c(O)c(C(C)C(\C)=C\C\C=C(/C)Cc3cc(C)co3)c(=O)oc2c1</smiles> is A hydroxycoumarin that is 4-hydroxycoumarin substituted by a methoxy group ar position 7 and a 1,2,6-trimethyl-7-(4-methyl-2-furyl)-hepta-2(E),5(E)-dienyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as furans, sesquiterpenoid, aromatic ether, hydroxycoumarin.
The molecule <smiles>CC(=O)N[C@H]1C(O)O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@@H]1O</smiles> is the  organosulfate oxoanion formed by proton loss from the sulfate group of N-acetyl-6-O-sulfo-D-glucosamine. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>O1C(C1C#CC#CCCCCCCCC)CCCCCCCC(OC)=O</smiles> is methyl 9,10-Epoxy-11,13-docosadiynoate. It is also related to or classified as fatty acid methyl ester .
The molecule <smiles>CC(O)\C=C\C1CCc2c(O1)cc(CC=C(C)C)c(O)c2C=O</smiles> is A  chromenol that is 3,4-dihydro-2H-chromene substituted by a hydroxy group at position 6, a 3-hydroxybut-1-en-1-yl at position 2, a formyl group at position 5 and a prenyl group at position 7. Isolated from Chaetomium globosum, it exhibits radical scavenging and cytotoxic activity towards several tumour cell lines. It has the role of radical scavenger. It has the role of Chaetomium metabolite. It is also related to or classified as aldehyde . It is also related to or classified as chromenol.
The molecule <smiles>C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O</smiles> is a tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4' respectively. It has a role as a plant metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a tetrahydroxyflavan and a catechin. It derives from a hydride of a (2S)-flavan.
The molecule <smiles>CCCCC/C=C\\C/C=C\\[C@@H](CCCCCCC(=O)O)OO</smiles> is the 8(R)-isomer of HPODE. It is a HPODE and an octadecanoid. It derives from a linoleic acid. It is a conjugate acid of an 8(R)-HPODE(1-).
The molecule <smiles>CC(c1c(O)c2ccc(O)cc2oc1=O)C(\C)=C\C\C=C(/C)CC(=O)C=C(C)C</smiles> is A hydroxycoumarin that is 4,7-dihydroxycoumarin substituted by a 1,2,6,10-tetramethyl-8-oxoundeca-2(E),5(E),9-trienyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effects on the production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as ketone . It is also related to or classified as sesquiterpenoid, hydroxycoumarin.
The molecule <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP([O-])(=O)O[C@H]2OC[C@H]([NH3+])[C@H](O)[C@H]2O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OP([O-])([O-])=O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> is the lipid oxoanion formed from lipid IIA by deprotonation of the phosphate hydroxy groups and protonation of the amino group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of lipid IIA(3-). It is also related to or classified as a lipid IIA(2-) . It is also related to or classified as lipid A oxoanion.
The molecule <smiles>CC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(C)=O)=C3C2=CO1</smiles> is an  azaphilone that is 6,6a-dihydro-8H-furo[2,3-h]isochromen-6,8(6aH)-dione substituted by an acetyl group at position 9, a chloro group a position 5, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 3 and a methyl group at position 6a.  Isolated from Chaetomium cupreum, it exhibits antifungal activity. It has the role of antifungal agent. It has the role of Chaetomium metabolite.  It is also related to or classified as organochlorine compound . It is also related to or classified as gamma-lactone .  It is also related to or classified as enone . It is also related to or classified as organic heterotricyclic compound, azaphilone, methyl ketone.
The molecule <smiles>CC1=C(C=CC2=C1N=C(N2C)NC3=C(C=C(C=C3)F)F)OC4=CC(=NC=C4)NC(=O)C</smiles> is a memger of the class of benzimidazoles that is benzimidazole that is substituted by methyl groups at positions 1 and 4, by a 2,4-difluoroanilino group at position 2, and by a (2-acetamidopyridin-4-yl)oxy group at position 5. It is a type II JAK2 inhibitor with antineoplastic activity. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor and an antineoplastic agent. It is a member of benzimidazoles, a member of acetamides, a member of pyridines, a difluorobenzene, an aromatic ether, a secondary amino compound and an aromatic amine.
The molecule <smiles>C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O</smiles> is a cardenolide glycoside that consists of strophanthidin having a beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl moiety attached at position 3. It is a 14beta-hydroxy steroid, a 19-oxo steroid, a 5beta-hydroxy steroid, a cardenolide glycoside, a steroid saponin and a steroid aldehyde. It derives from a strophanthidin.
The molecule <smiles>Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1</smiles> is A phlorotannin that consists of biphenyl-2,2',4,4',6-pentol substituted by a 2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy substituent at position 6'. Isolated from the marine brown alga Ecklonia cava, it exhibits anti-allergic, antioxidant and hypoglycemic activities. It has the role of antioxidant. It has the role of metabolite. It has the role of hypoglycemic agent. It has the role of anti-allergic agent. Its functional parent is phloroglucinol. It is also related to or classified as aromatic ether, phlorotannin.
The molecule <smiles>C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O)N</smiles> is a tripeptide composed of two L-alanyl and an L-aspartic acid residue joined in sequence. It has a role as a metabolite. It derives from a L-alanine and a L-aspartic acid.
The molecule <smiles>C[C@@H](CCO)\C=C(C)\C=C\C1=CC2=CC3=C(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1</smiles> is an azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9, a 7-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum and exhibits antifungal activity. It has the role of antifungal agent. It has the role of Chaetomium metabolite. It is also related to or classified as primary alcohol .  It is also related to or classified as gamma-lactone . It is also related to or classified as organic heterotricyclic compound, azaphilone, methyl ketone.
The molecule <smiles>CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)[NH3+])O</smiles> is an organic cation that is the conjugate acid of rhodomycin D, obtained by protonation of the amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a rhodomycin D.
The molecule <smiles>C1C(=O)NC(=O)NC1=O</smiles> is a barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active. It has a role as an allergen and a xenobiotic. It is a conjugate acid of a barbiturate, a barbiturate(2-) and a barbiturate(1-).
The molecule <smiles>Cl.CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)O1</smiles> is A hydrochloride salt resulting from the mixture of equimolar amounts of FR901469 and hydrogen chloride. It is isolated from an unidentified Fungus and exhibits antifungal and antipneumonic activities. It has the role of metabolite. It has the role of antimicrobial agent. It has the role of antifungal agent. It is also related to or classified as hydrochloride.
The molecule <smiles>COc1c([O-])cc2oc(cc(=O)c2c1O)-c1ccccc1</smiles> is A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of oroxylin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of antineoplastic agent. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as flavonoid oxoanion.
The molecule <smiles>CC[C@H](C)\C=C(C)\C=C\C1=CC2=CC3=C(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1</smiles> is an azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum and exhibits antifungal activity. It has the role of antifungal agent. It has the role of Chaetomium metabolite.  It is also related to or classified as gamma-lactone . It is also related to or classified as organic heterotricyclic compound, azaphilone, methyl ketone.
The molecule <smiles>C[NH2+][C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)CO)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1NC(N)=[NH2+]</smiles> is conjugate acid of dihydrostreptomycin 6-phosphate arising from deprotonation of the phosphate OH groups and protonation of the secondary amino and both guanidino groups; major species at pH 7.3. It is a conjugate acid of dihydrostreptomycin 6-phosphate. It is also related to or classified as organic cation.
The molecule <smiles>COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O</smiles> is a pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3', 4' and 5' have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare. It has a role as a metabolite, a plant metabolite and an antileishmanial agent. It is a pentamethoxyflavone and a monohydroxyflavone. It derives from a myricetin.
The molecule <smiles>C[C@H]1C[C@@H](NC(=O)\C=C/[C@H](C)OC(C)=O)[C@@H](C)O[C@H]1C\C=C(C)\C=C\[C@H]1O[C@](C)(O)[C@H](O)[C@@]2(CO2)[C@@H]1O</smiles> is A spiro-epoxide with potent cytotoxic activity against human tumour cells. It is isolated from Pseudomonas sp. no.2663. It has the role of antineoplastic agent. It has the role of bacterial metabolite.   It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as secondary alcohol . It is also related to or classified as acetate ester . It is also related to or classified as spiro-epoxide, pyrans, cyclic hemiketal.
The molecule <smiles>C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1NC(C)=O</smiles> is an amino sugar that is 4,6-dideoxy-D-galactose substituted at position 4 by an acetamido group. Its functional parent is D-galactopyranose. It is also related to or classified as amino sugar, dideoxyhexose derivative.
The molecule <smiles>C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C)-c1c(O)cc(O)c2c(O)c3C(=O)[C@@H](C)[C@H](C)Oc3cc12</smiles> is A biaryl that is 2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2', 3 and 3' (the 2R,2'S,3R,3'S stereoisomer). It has been isolated from Chaetomium gracile. It has the role of Chaetomium metabolite. It is also related to or classified as phenols . It is also related to or classified as biaryl, benzochromenone.
The molecule <smiles>CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)C</smiles> is a 3-oxo-Delta(4)-steroid that is progesterone in which the hydrogen at the 6beta-position is substituted by a hydroxy group. It is a 20-oxo steroid, a 3-oxo-Delta(4) steroid and a 6beta-hydroxy steroid.
The molecule <smiles>C[C@H]1C[C@@H](NC(=O)\C=C/[C@H](C)OC(C)=O)[C@@H](C)O[C@H]1C\C=C(C)\C=C\[C@H]1O[C@](C)(O)C[C@@]2(CO2)[C@@H]1O</smiles> is A spiro-epoxide with potent anticancer activity that lowers the mRNA levels of oncogenes and tumour supressor genes. It is isolated from Pseudomonas sp. no.2663. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of bacterial metabolite.   It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as acetate ester . It is also related to or classified as spiro-epoxide, pyrans, cyclic hemiketal.
The molecule <smiles>CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCCCC[C@@H]([C@H](C)N)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O</smiles> is a fumonisin that is fumonisin B2 that is lacking hydroxy group located gamma- to the amino substituent. It has a role as an Aspergillus metabolite. It is a fumonisin, a primary amino compound, a secondary alcohol and a diester.
The molecule <smiles>C[C@H]1C\C=C\[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)C[C@@H]2[C@@H]1C(C)=C(O)C2=O</smiles> is A cytochalasan alkaloid found in Chaetomium globosum. It has the role of Chaetomium metabolite.  It is also related to or classified as macrocycle . It is also related to or classified as indoles, cytochalasan alkaloid.
The molecule <smiles>COC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O</smiles> is a D-aldohexose that is D-glucose in which the hydrogen of the hydroxy group at position 6 has been substituted by a methyl group. It derives from an aldehydo-D-glucose.
The molecule <smiles>C[C@H](CCCCCCCCCCCCC[C@H](CC(=O)O)O)O</smiles> is an (omega-1)-hydroxy fatty acid that is (17R)-17-hydroxyoctadecanoic acid ((17R)-17-hydroxystearic acid) in which the 3-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a 3-hydroxy carboxylic acid, a dihydroxy monocarboxylic acid and a hydroxyoctadecanoic acid. It derives from a (R)-17-hydroxyoctadecanoic acid.
The molecule <smiles>CC1CC(NC(=O)\C=C/C(C)OC(C)=O)C(C)OC1C\C=C(C)\C=C\C1O[C@](C)(O)C[C@@](O)(CCl)[C@@H]1O</smiles> is A cyclic hemiketal isolated from the fermentation broth of Pseudomonas sp.no.2663. It displays potent cytotoxic activity against human tumour cells. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of bacterial metabolite.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as organochlorine compound . It is also related to or classified as acetate ester . It is also related to or classified as pyrans, cyclic hemiketal.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2C(O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A glycosylgalactose consisting of D-galactose having an alpha-L-fucosyl residue attached at the 2-position. It is also related to or classified as alpha-L-fucosyl-(1->2)-D-galactose .