anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3CC3 C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3CC3 is 1-[(4S,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12OC(=O)C(=C)[C@]1([H])CC\C(C)=C\CC\C(=C/CC\C(C)=C\2)C(O)=O [H][C@@]12OC(=O)C(=C)[C@]1([H])CC\C(C)=C\CC\C(=C/CC\C(C)=C\2)C(O)=O is A cembrane diterpenoid isolated from Lobophytum hedleyi and Lobophytum. It exhibits anti-HIV-1 activity. It has the role of anti-HIV-1 agent . It has the role of coral metabolite .  It is also related to or classified as gamma-lactone  . It is also related to or classified as monocarboxylic acid , cembrane diterpenoid .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CN=CC=C4 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CN=CC=C4 is N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC[C@H](CC1=CC=CC=C1)C2=CC(=C(C(=O)O2)[C@@H](C3C=C3)C4=CC(=CC=C4)NC(=O)CCNC(=O)OC(C)(C)C)O is a pyranone that is 4-hydroxy-3-methyl-2H-pyran-2-one in which two of the hydrogens of the methyl group are replaced by a cycloprop-2-en-1-yl group and a 3-{[N-(tert-butoxycarbonyl)-beta-alanyl]amino}phenyl group (S-configuration) and in which the hydrogen at position 6 is replaced by a 1-phenylbutan-2-yl group (R-configuration). It has a role as a HIV protease inhibitor. It is a member of cyclopropenes, a carbamate ester, an anilide, a monocarboxylic acid amide and a member of 2-pyranones.
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@H](O)[C@H]1O is A disaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of Rubia yunnanensis. It has the role of plant metabolite . Its functional parent is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone . It is also related to or classified as dihydroxyanthraquinone  . It is also related to or classified as disaccharide derivative .
The molecule COC1=CC=C(CC(N)C(O)=O)C=C1 COC1=CC=C(CC(N)C(O)=O)C=C1 is A tyrosine derivative that is tyrosine in which the hydroxy group at position 4 of the phenyl ring is substituted by a methoxy group. Its functional parent is tyrosine . It is also related to or classified as monomethoxybenzene , tyrosine derivative .
The molecule CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)[O-] is an organosulfate oxoanion that is the conjugate base of 4-methylumbelliferone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a 4-methylumbelliferone sulfate.
The molecule C1=CC=CC=C1C\C=N\O C1=CC=CC=C1C\C=N\O is A phenylacetaldehyde oxime in which the oxime moiety has E configuration. It is also related to or classified as phenylacetaldehyde oxime  .
The molecule Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)Nc2c(=O)[nH]1 Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)Nc2c(=O)[nH]1 is 5,6,7,8-tetrahydrofolyl-L-glutamic acid. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as tetrahydrofolyl glutamate .
The molecule C[C@H]1CNCCC2=C1C=C(C=C2)Cl.C[C@H]1CNCCC2=C1C=C(C=C2)Cl.O.Cl.Cl is a hydrate that is the hemihydrate form of lorcaserin hydrochloride. Used as an anti-obesity drug. It has a role as an appetite depressant and a serotonergic agonist. It contains a lorcaserin hydrochloride.
The molecule OC1=CC=CC2=C1[N+]([O-])=CC=C2 OC1=CC=CC2=C1[N+]([O-])=CC=C2 is A quinoline N-oxide carrying a hydroxy substituent at position 8. Its functional parent is quinolin-8-ol . It is a conjugate acid of 8-hydroxyquinoline N-oxide(1-) . It is also related to or classified as quinoline N-oxide , monohydroxyquinoline .
The molecule [H][C@]1(O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@@H](CO)O[C@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC)[C@H](O)[C@H](O)CCCCCCCCCCCCC)O[C@@H]1CO [H][C@]1(O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@@H](CO)O[C@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC)[C@H](O)[C@H](O)CCCCCCCCCCCCC)O[C@@H]1CO is LMG-4. It has the role of metabolite . It is also related to or classified as amino oligosaccharide .
The molecule CN1CC2=CCO[C@H]3CC(=O)N4[C@H]5[C@H]3[C@H]2CC(=O)[C@@]5(C[C@@H]1O)C6=CC=CC=C64 is a monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the seeds of Strychnos nux-vomica. It has a role as a plant metabolite. It is a delta-lactam, a cyclic ketone, a monoterpenoid indole alkaloid, an organic heterohexacyclic compound, a tertiary amino compound and a hemiaminal.
The molecule CCCNC(=O)N1[C@@H]([C@H]([C@@H]1CO)C2=CC=C(C=C2)C3=CCCC3)CNC(=O)C CCCNC(=O)N1[C@@H]([C@H]([C@@H]1CO)C2=CC=C(C=C2)C3=CCCC3)CNC(=O)C is (2S,3R,4R)-2-(acetamidomethyl)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=C(OC1=C(C(O)=CC(=C1)CCCCCCC)CCCCCC)/C=C/C=C/C=C/C=C/C=C/C=C/C2=CC(OC)=CC=C2 O=C(OC1=C(C(O)=CC(=C1)CCCCCCC)CCCCCC)/C=C/C=C/C=C/C=C/C=C/C=C/C2=CC(OC)=CC=C2 is Arcuflavin B. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(C(Br)(Br)Br)Br)C is a carboxylic ester resulting from the formal condensation between (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid and the alcoholic hydroxy group of (2S)-hydroxy(3-phenoxyphenyl)acetonitrile. It has a role as a pyrethroid ester insecticide. It is an organobromine compound, a nitrile, a member of cyclopropanes, a carboxylic ester and an aromatic ether. It derives from a (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid.
The molecule CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@@H](O)[C@@H]1O CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@@H](O)[C@@H]1O is A monosaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a (6'-O-acetyl)-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of Rubia yunnanensis. It has the role of plant metabolite . Its functional parent is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as dihydroxyanthraquinone  . It is also related to or classified as acetate ester  . It is also related to or classified as monosaccharide derivative .
The molecule NC(=N)NCCCCNP(O)(O)=O NC(=N)NCCCCNP(O)(O)=O is N(4)-phosphoagmatine. Its functional parent is agmatine . It is a conjugate acid of N(4)-phosphonatoagmatine(1-) . It is also related to or classified as phosphoramide .
The molecule CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)O is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isononanol. It has a role as a human xenobiotic metabolite.
The molecule [H]n1cc(C2=N[C@H](CS2)C([O-])=O)c2ccccc12 [H]n1cc(C2=N[C@H](CS2)C([O-])=O)c2ccccc12 is A monocarboxylic acid anion that is the conjugate base of (S)-dihydrocamalexic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule OC(=O)CCc1c(CC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O OC(=O)CCc1c(CC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O is uroporphyrin III. It has the role of human metabolite . It is a conjugate acid of uroporphyrin III(8-) . It is also related to or classified as uroporphyrin .
The molecule O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O)CO O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O)CO is A trisaccharide consisting of beta-D-galactopyranose, alpha-D-glucopyranose and D-glucopyranose residuce joined in sequence by (1->4) glycosidic linkages. Its functional parent is maltose . Its functional parent is alpha-lactose . It is also related to or classified as trisaccharide .
The molecule Oc1ccc(C(=O)CCc2ccc(Oc3ccc(CCC(=O)c4ccc(O)cc4O)cc3O)cc2)c(O)c1 Oc1ccc(C(=O)CCc2ccc(Oc3ccc(CCC(=O)c4ccc(O)cc4O)cc3O)cc2)c(O)c1 is A member of the class of dihydrochalcones isolated from the aerial parts of Verbena litoralis and exhibits stimulating the effect of nerve growth factor (NGF). It has the role of metabolite . It has the role of nerve growth factor stimulator . It is also related to or classified as resorcinols , aromatic ether , dihydrochalcones .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C is N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-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 CNCC[C@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl is a hydrochloride obtained by reaction of (R)-fluoxetine with one equivalent of hydrochloric acid. It has a role as an antidepressant and a serotonin uptake inhibitor. It contains a (R)-fluoxetine(1+). It is an enantiomer of a (S)-fluoxetine hydrochloride.
The molecule C1[C@@]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)(CO)O is a UDP-D-apiose(2-) in which the anomeric centre of the apiose fragment has alpha-configuration. It is a conjugate base of an UDP-alpha-D-apiose.
The molecule COC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 COC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 is an anthraquinone that is 9,10-anthraquinone substituted by a methoxycarbonyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. It has the role of plant metabolite .  It is also related to or classified as methyl ester  . It is also related to or classified as anthraquinone , aromatic ester .
The molecule CC(C(=O)OC)O is a lactate ester resulting from the formal condensation of the carboxy group of 2-hydroxypropanoic acid with methanol. It has a role as a metabolite. It is a lactate ester and a methyl ester.
The molecule C[C@@H]1C(=O)C(=O)C[C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O is a nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose; major species at pH 7.3. It derives from a dTDP-alpha-D-glucose(2-). It is a conjugate base of a dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose.
The molecule O=C1OC(=O)C2=C1C(CC=3C(=O)OC(C3CC(C2)(O)CCCC)=O)CCCCC O=C1OC(=O)C2=C1C(CC=3C(=O)OC(C3CC(C2)(O)CCCC)=O)CCCCC is Scytalidin. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule COc1cc(ccc1O)C(=O)OCc1ccc(O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 COc1cc(ccc1O)C(=O)OCc1ccc(O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 is an O-acyl carbohydrate consisting of glucose attached to 2-hydroxy-4-vanilloyloxymethylphenyl and trans-caffeoyl group at positions 1 and 6 respectively. Isolated from stems of Ilex latifolia, it exhibits inhibitory activity against alpha-glucosidase and lipase. It has the role of metabolite . It has the role of EC 3.1.1.3 (triacylglycerol lipase) inhibitor . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . Its functional parent is trans-caffeic acid . Its functional parent is vanillic acid . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as polyphenol , cinnamate ester , O-acyl carbohydrate .
The molecule CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl is the ethyl ester of clofibric acid. It has a role as an anticholesteremic drug and an antilipemic drug. It is an aromatic ether, a member of monochlorobenzenes and an ethyl ester. It derives from a clofibric acid.
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)O)OS(=O)(=O)O is a heparin disaccharide that is 2N,6-O-disulfo-alpha-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by alpha-L-idopyranuronic acid. Sequence: IdoA-GlcNSO3(6-OSO3). It is a heparin disaccharide, an amino disaccharide and an oligosaccharide sulfate. It derives from a HP_dp02_0003.
The molecule Cc1ccc2C(=O)c3ccccc3C(=O)c2c1O Cc1ccc2C(=O)c3ccccc3C(=O)c2c1O is A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by a hydroxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. It has the role of plant metabolite . It is also related to or classified as monohydroxyanthraquinone .
The molecule CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)NC4=C(C=CC(=C4)F)F CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)NC4=C(C=CC(=C4)F)F is (6R,7S,8S)-N-(2,5-difluorophenyl)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCC(=O)N is a glycine derivative that is glycinamide in which one of the amino hydrogens is replaced by a 9-beta-D-ribofuranosylpurin-6-yl group. It is a nucleoside analogue, a glycine derivative and an amino acid amide. It derives from an adenosine.
The molecule COc1c(OC)c2Sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3Sc2c(CCN(C)C)c1SC COc1c(OC)c2Sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3Sc2c(CCN(C)C)c1SC is A member of the class of  thianthrenes that is thianthrene substituted by methoxy groups at positions 3, 4, 8 and 9, methylsulfanyl groups at positions 2 and 7 and 2-(dimethylamino)ethyl groups at positions 1 and 6. Isolated from the ascidian Lissoclinum badium, it exhibits cytotoxicity against human cancer cells. It has the role of antineoplastic agent . It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as aromatic ether , aryl sulfide , tertiary amino compound , thianthrenes .
The molecule C/C=C(/C)\\C(=O)O[C@H]1CC(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)C)C)O)O)CO)(C)C is a triterpenoid saponin that is 3,15,16,28-tetrahydroxyolean-12-en-22-yl (2Z)-2-methylbut-2-enoate attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. Isolated from the stems of Gordonia chrysandra, it exhibits a strong inhibitory effect on nitric oxide production. It has a role as an anti-inflammatory agent and a plant metabolite. It is a beta-D-glucosiduronic acid, a pentacyclic triterpenoid, a tetrasaccharide derivative and a triterpenoid saponin. It derives from an angelic acid. It derives from a hydride of an oleanane.
The molecule COC(=O)/C=C/C(=O)NCC(C(=O)O)NC(=O)[C@H](CCSC)N is a dipeptide composed of 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and L-methionine joined by peptide linkages. It has a role as a metabolite. It is a dipeptide and a methyl ester. It derives from a L-methionine and a 3-aminoalanine.
The molecule C1=CC=C(C(=C1)C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N)C(=O)O is a cationic fluorescent dye derived from 9-phenylxanthene. It has a role as a fluorochrome. It is a xanthene dye and an organic cation.
The molecule Cc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O Cc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O is A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 3 and a methyl group at position 2. It has been isolated from Rubia yunnanensis. It has the role of antioxidant . It has the role of antibacterial agent . It has the role of hepatoprotective agent . It has the role of plant metabolite . It is also related to or classified as dihydroxyanthraquinone  .
The molecule COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)C=C)O is conjugate acid of strictosidine aglycone arising from deprotonation of the secondary amino group; major species at pH 7.3. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a strictosidine aglycone.
The molecule CC1=C(C(CCC1)(C)C)/C=C/C(=O)C is an ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. It has a role as an antioxidant and a fragrance.
The molecule Nc1ccc2[nH]c3ccccc3c(=O)c2c1 Nc1ccc2[nH]c3ccccc3c(=O)c2c1 is 2-Aminoacridone. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule COc1c(OC)c2ssc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc2c(CCN(C)C)c1SC COc1c(OC)c2ssc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc2c(CCN(C)C)c1SC is an organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines. It has the role of antineoplastic agent . It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound , aromatic ether , aryl sulfide , organosulfur heterocyclic compound , tertiary amino compound .
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)CC4=CN=CN=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)CC4=CN=CN=C4 is N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-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 C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)[NH3+] is conjugate base of dTDP-4-amino-4,6-dideoxy-D-galactose having both the OH groups of the diphosphate deprotonated and a cationic amino group on the sugar ring. It is a conjugate base of a dTDP-4-amino-4,6-dideoxy-D-galactose.
The molecule C[C@H](C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@H]2CO)CC4CCOCC4)O C[C@H](C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@H]2CO)CC4CCOCC4)O is (2R)-4-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N is an organic sulfide that is the S-adenosyl derivative of L-homocysteine. It has a role as a cofactor, an EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor, an EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor, a fundamental metabolite and an epitope. It is a member of adenosines, an organic sulfide, a homocysteine derivative and a member of homocysteines. It is a conjugate acid of a S-adenosyl-L-homocysteinate. It is a tautomer of a S-adenosyl-L-homocysteine zwitterion.
The molecule Cc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1O Cc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1O is A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 6 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. It has the role of antibacterial agent . It has the role of plant metabolite . It is also related to or classified as dihydroxyanthraquinone  .
The molecule O[C@H]1[C@H](O)[C@@H](O)C(=O)[C@@H](O)[C@@H]1O O[C@H]1[C@H](O)[C@@H](O)C(=O)[C@@H](O)[C@@H]1O is myo-2-inosose. Its functional parent is scyllo-inositol . It is also related to or classified as pentahydroxycyclohexanone .
The molecule CCC(=NNC1=NC(=CS1)C2=CC=C(C=C2)Cl)CC is a member of the class of 1,3-thiazoles that is 2-[2-(pentan-3-ylidene)hydrazino]-1,3-thiazole carrying an additional 4-chlorophenyl substituent at position 4. It has a role as an EC 2.3.1.48 (histone acetyltransferase) inhibitor. It is a hydrazone, a member of 1,3-thiazoles and a member of monochlorobenzenes.
The molecule C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C4=NC(=CS4)C5=CC=CC=C5)CO C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C4=NC(=CS4)C5=CC=CC=C5)CO is (2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule N[C@@H](Cc1cc(O)c(O)cc1[18F])C(O)=O N[C@@H](Cc1cc(O)c(O)cc1[18F])C(O)=O is 6-((18)F)fluoro-L-dopa.  It is also related to or classified as 6-fluoro-L-dopa  . It is also related to or classified as (18)F radiopharmaceutical .
The molecule C1=CC=C2C(=C1)C3=C(N2)C=NC=C3 is the parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. It has a role as a marine metabolite and a fungal metabolite. It is a member of beta-carbolines and a mancude organic heterotricyclic parent.
The molecule COc1c(OC)c2sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3ssc2c(CCN(C)C)c1SC COc1c(OC)c2sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3ssc2c(CCN(C)C)c1SC is an  organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines. It has the role of antineoplastic agent . It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as aromatic ether , aryl sulfide , organosulfur heterocyclic compound , organic heterotetracyclic compound , tertiary amino compound .
The molecule COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O is a member of the class of pterocarpans that is 3-hydroxyptercarpan with a methoxy substituent at position 9. It has a role as a phytoalexin.
The molecule [H]n1cc(C2=N[C@H](CS2)C(O)=O)c2ccccc12 [H]n1cc(C2=N[C@H](CS2)C(O)=O)c2ccccc12 is (S)-dihydrocamalexic acid. It is a conjugate acid of (S)-dihydrocamalexate . It is also related to or classified as dihydrocamalexic acid  .
The molecule C1=C(NC(=N1)CCC(C(=O)[O-])[NH3+])C[C@@H](C(=O)[O-])[NH3+] is a dizwitterionic form of 2-(3-amino-3-carboxypropyl)-L-histidine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3. It is a tautomer of a 2-(3-amino-3-carboxypropyl)-L-histidine.
The molecule COc1c(C)c(O)cc2C(=O)c3cc(O)ccc3C(=O)c12 COc1c(C)c(O)cc2C(=O)c3cc(O)ccc3C(=O)c12 is A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by hydroxy groups at positions 3 and 6, a methoxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. It has the role of plant metabolite .  It is also related to or classified as dihydroxyanthraquinone  . It is also related to or classified as aromatic ether .