anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)NCCC[C@@H](C(=O)O)NC(=O)C is an N-acetyl-L-amino acid that is L-ornithine carrying two acetyl substituents at positions N-2 and N-5. It is a N-acetyl-L-amino acid and a L-ornithine derivative. It is a conjugate acid of a bisorcic(1-).
The molecule O([C@@H]1[C@H](O)[C@@H](O)C(O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1[C@H](O)[C@@H](O)C(O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is A glycosylgalactose consisting of alpha-D-glucopyranose and D-galactopyranose joined in sequence by a (1->4) glycosidic bond. Its functional parent is D-galactose . Its functional parent is alpha-D-glucose . It is also related to or classified as glycosylgalactose .
The molecule C[NH2+][C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)C(COP(=O)([O-])[O-])[NH3+])O)O)O)O)[NH3+] is conjugate acid of 7''-O-phosphohygromycin B arising from protonation of the three amino groups and deprotonation of the phosphate OH groups; major species at pH 7.3. It is a conjugate acid of a 7''-O-phosphohygromycin B.
The molecule C[C@]12CC[C@@H]([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3([C@H]([C@H]([C@@H]5[C@@]4(CCCC5(C)C)C)O)O)C)C)C(C)(C)O is a hopanoid that is hopane substituted by hydroxy groups at positions 6, 7 and 22 (the 6beta,7beta-stereoisomer). It has been isolated from Conoideocrella tenuis. It has a role as a fungal metabolite. It is a hopanoid, a pentacyclic triterpenoid and a triol.
The molecule CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=C2C=C(CC2=CC(F)=CC(F)=C2)C=C3)C(NC2CCOCC2)=C1 CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=C2C=C(CC2=CC(F)=CC(F)=C2)C=C3)C(NC2CCOCC2)=C1 is A member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as difluorobenzene  . It is also related to or classified as benzamides , indazoles , N-methylpiperazine , oxanes , secondary amino compound .
The molecule Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 is fenoldopam. It has the role of alpha-adrenergic agonist . It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of dopaminergic antagonist . It has the role of dopamine agonist . It is also related to or classified as benzazepine  .
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is an alpha-D-Glcp-(1->4)-D-Galp in which the carbon bearing the anomeric hydroxy group has alpha configuration. It is also related to or classified as alpha-D-Glcp-(1->4)-D-Galp  .
The molecule C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C=5C=CC=CC5)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C(C1C)N=CC=C6)=O)(C)O4)C)[H])=O)C C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C=5C=CC=CC5)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C(C1C)N=CC=C6)=O)(C)O4)C)[H])=O)C is A sesquiterpene alkaloid that is isolated from Tripterygium forrestii, Platanus chiapensis and Maytenus chiapensis. It has the role of plant metabolite . It is also related to or classified as macrolide  .    It is also related to or classified as acetate ester  . It is also related to or classified as pyridine alkaloid , sesquiterpene alkaloid , benzoate ester , dihydroagarofuran sesquiterpenoid .
The molecule C=C1CCC(=O)O1 C=C1CCC(=O)O1 is alpha'-angelica lactone.  It is also related to or classified as gamma-lactone  . It is also related to or classified as butan-4-olide .
The molecule CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 3',4',5'-trifluorobiphenyl-2-amine. Used to control a number of cereal fungal pathogens including those belonging to the Ascomycetes, Basidiomycetes and Zygomycetes families. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is an aromatic amide, a member of biphenyls, a member of pyrazoles, a trifluorobenzene and an anilide fungicide.
The molecule CN1C=CN=C1C(=O)O is an imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 1 and 2 respectively. It has a role as a metabolite.
The molecule COC1=CC=CC(CNC2=CC=C(C=C2)S(=O)(=O)NC2=NC3=CC=CC=C3S2)=C1O COC1=CC=CC(CNC2=CC=C(C=C2)S(=O)(=O)NC2=NC3=CC=CC=C3S2)=C1O is A sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis. It has the role of platelet aggregation inhibitor . It has the role of EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor . Its functional parent is 2-aminobenzothiazole .  It is also related to or classified as phenols  . It is also related to or classified as sulfonamide  . It is also related to or classified as monomethoxybenzene , benzothiazoles , substituted aniline , secondary amino compound .
The molecule C=1C=CC=C2C3=CC=C4C(=CC=CC4=C3C=CC21)O C=1C=CC=C2C3=CC=C4C(=CC=CC4=C3C=CC21)O is A hydroxychrysene that is chrysene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene. It has the role of xenobiotic metabolite . It is also related to or classified as hydroxychrysene .
The molecule O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)[C@@H]4O[C@@H]([C@H](O)[C@H](O[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)CO O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)[C@@H]4O[C@@H]([C@H](O)[C@H](O[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)CO is A member of the class of neuraminic acids that is neuraminic acid attached in sequence to beta-D-galactopyranosyl, 2-acetamido-2-deoxy-beta-D-galactopyranosyl, beta-D-galactopyranosyl, and beta-D-gucoopyranose units by (2->3), (1->3), (1->4), and (1->4) glycosidic linkages, respectively. It corresponds to the carbohydrate portion of ganglioside GM1b. It is also related to or classified as neuraminic acids , amino pentasaccharide .
The molecule [NH3+][C@@H](CCOC(=O)CCC([O-])=O)C([O-])=O [NH3+][C@@H](CCOC(=O)CCC([O-])=O)C([O-])=O is an alpha-amino-acid anion that is the conjugate base of O-succinyl-L-homoserine having anionic carboxy groups and a protonated amino group; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as alpha-amino-acid anion , dicarboxylic acid anion .
The molecule CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 is propanoic acid in which one of the methylene hydrogens is substituted by a 6-chloro-9H-carbazol-2-yl group. A non-steroidal anti-inflammatory drug, it is no longer used in human medicine but is still used for treatment of arthritis in elderly dogs. It has the role of non-steroidal anti-inflammatory drug . It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor . It has the role of photosensitizing agent . It is also related to or classified as organochlorine compound  . It is also related to or classified as carbazoles .
The molecule C[C@H](N)C(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O C[C@H](N)C(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O is an aminopyrrolidine that is pyrrolidine substituted by (2S)-2-aminopropanoyl, amino, carboxy, and 3-boronopropyl groups at positions 1, 3, 3, and 4 (the 3R,4S-stereoisomer). It is a selective arginase inhibitor being developed by Calithera Biosciences for the treatment of solid tumours. It has the role of EC 3.5.3.1 (arginase) inhibitor . It has the role of antineoplastic agent . It has the role of immunomodulator . It is also related to or classified as boronic acids  . It is also related to or classified as N-acylpyrrolidine , pyrrolidinecarboxylic acid , aminopyrrolidine , primary amino compound , amino monocarboxylic acid .
The molecule CCCCCCCCNS(=O)(=O)O is a member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by an octyl group. It has a role as a kairomone and a Daphnia pulex metabolite. It is a conjugate acid of an octylsulfamate.
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[C@@]6(C[C@H]([C@H]([C@H](O6)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC is a lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of glucosyl-(heptosyl)2-(KDO)2-lipid A; major species at pH 7.3. It is a conjugate base of a glucosyl-(heptosyl)2-(KDO)2-lipid A.
The molecule NC(=O)\C=C/C(O)=O NC(=O)\C=C/C(O)=O is A dicarboxylic acid monoamide of maleamic acid. It has the role of Escherichia coli metabolite . It has the role of bacterial xenobiotic metabolite . Its functional parent is maleic acid . It is a conjugate acid of maleamate . It is also related to or classified as dicarboxylic acid monoamide , alpha,beta-unsaturated monocarboxylic acid .
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O is A cellotriose with a beta-configuration at the anomeric position. It is also related to or classified as cellotriose  .
The molecule N[C@@H](NC1CC1)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)[C@H](N)NC1CC1 N[C@@H](NC1CC1)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)[C@H](N)NC1CC1 is A substituted diphenylfuran in which two amino(cyclopropylamino)methyl substituents are located at the two para-positions on the phenyl rings. It is also related to or classified as aminal  . It is also related to or classified as substituted diphenylfuran .
The molecule CN(C)CCCC[C@H](N)C(O)=O CN(C)CCCC[C@H](N)C(O)=O is an L-lysine derivative comprising L-lysine having two methyl substituents attached to the side-chain amino group. It is also related to or classified as L-lysine derivative , non-proteinogenic L-alpha-amino acid .
The molecule O=C(ON1C(=O)CCC1=O)CCNC(C)CC=2C=CC=CC2 O=C(ON1C(=O)CCC1=O)CCNC(C)CC=2C=CC=CC2 is an N-hydroxysuccinimide ester resulting from the formal condensation of the carboxy group of N-[(2S)-1-phenylpropan-2-yl]-beta-alanine with pyrrolidine-2,5-dione. It is a hapten used in the development of an anti-methamphetamine vaccine. It has the role of hapten .   It is also related to or classified as N-hydroxysuccinimide ester  . It is also related to or classified as benzenes , secondary amino compound .
The molecule O([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]4CO)O)O[C@@H]([C@@H]1O)CO)[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@@H](CO)O)C(O)=O)[C@H]6O)CO)[C@H](O)[C@H]5NC(=O)C)CO O([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]4CO)O)O[C@@H]([C@@H]1O)CO)[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@@H](CO)O)C(O)=O)[C@H]6O)CO)[C@H](O)[C@H]5NC(=O)C)CO is A member of the class of neuraminic acids that is neuraminic acid attached in sequence to beta-D-galactopyranosyl, 2-acetamido-2-deoxy-beta-D-glucopyranosyl, beta-D-galactopyranosyl, 2-acetamido-2-deoxy-beta-D-glucopyranosyl, beta-D-galactopyranosyl, and beta-D-glucopyranose units by (2->3), (1->4), (1->3), (1->4), 1->3), and (1->4) glycosidic linkages, respectively. It is also related to or classified as neuraminic acids , amino heptasaccharide .
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](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)NC(=O)C)O)CO)CO)O)CO)CO)O)O)O)O)O is a linear amino pentasaccharide comprising one fucose, two galactose and two glucosamine residues, one of which is at the reducing end. It has a role as an epitope. It is an amino pentasaccharide and a glucosamine oligosaccharide.
The molecule CC(C)C1=CC(=CC(=C1N=C=NC(C)(C)C)C(C)C)OC2=CC=CC=C2 is an aromatic ether that is 1,3-diisopropyl-5-phenoxybenzene in which the hydrogen atom at position 2 is substituted by a [(tert-butylimino)methylene]amino group. The active insecticide of the proinsecticide diafenthiuron. It has a role as an insecticide, an oxidative phosphorylation inhibitor and an acaricide. It is an aromatic ether, a carbodiimide and a member of benzenes. It derives from a diphenyl ether.
The molecule [C@H]1(N2C=CC(=O)NC2=O)[C@@H]([C@@H]([C@@]([C@H](C(N)=O)O)(O1)[H])O)O [C@H]1(N2C=CC(=O)NC2=O)[C@@H]([C@@H]([C@@]([C@H](C(N)=O)O)(O1)[H])O)O is uridine-5'-carboxamide. Its functional parent is uridine . It is also related to or classified as primary carboxamide  .
The molecule CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SCC3=C(C=C(C=C3)Cl)Cl CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SCC3=C(C=C(C=C3)Cl)Cl is (2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester.  It is also related to or classified as carboxylic acid  . It is also related to or classified as pyrrolidinecarboxylic acid .
The molecule C1[C@H](O)C([C@@]23[C@](C1)([H])[C@]4([C@](C[C@H]3O2)([C@@]5([C@@](CC4)([C@]6([C@@](CC[C@](C6)(C(O)=O)C)(C)CC5)[H])C)C)[H])C)(C)C C1[C@H](O)C([C@@]23[C@](C1)([H])[C@]4([C@](C[C@H]3O2)([C@@]5([C@@](CC4)([C@]6([C@@](CC[C@](C6)(C(O)=O)C)(C)CC5)[H])C)C)[H])C)(C)C is A hexacyclic triterpenoid with formula C30H48O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum. It has the role of plant metabolite . It is also related to or classified as epoxy monocarboxylic acid , hydroxy monocarboxylic acid , hexacyclic triterpenoid .
The molecule C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)F C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)F is N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](CC(C[C@H]1CC(=O)C)=O)CO)C)C)CC(C)C O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](CC(C[C@H]1CC(=O)C)=O)CO)C)C)CC(C)C is Phomacin F. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]2[C@@H](O)[C@H](O)[C@H](OC2O)CO O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]2[C@@H](O)[C@H](O)[C@H](OC2O)CO is an amino disaccharide consisting of 2-acetamido-2-deoxy-beta-D-glucopyranose and D-mannopyranose residues joined in sequence by a (1->2) glycosidic bond. It is also related to or classified as acetamides , amino disaccharide , glycosylmannose derivative .
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O)[C@H]3O[C@@H]([C@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]3O)CO O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O)[C@H]3O[C@@H]([C@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]3O)CO is an amino tetrasaccharide consisting of 2-acetamido-2-deoxy-beta-D-galactopyranosyl, alpha-D-galactopyranosyl, beta-D-galactopyranosyl, and beta-D-glucopyranose units joined together in sequence by (1->3), (1->4), and (1->4) glycosidic linkages, respectively. It is also related to or classified as galactosamine oligosaccharide , amino tetrasaccharide .
The molecule C1=CC(=CC2=C1C=CN2)OS(=O)(=O)O is a member of the class of indoles that is 6-hydroxyindole in which the phenolic hydrogen has been replaced by a sulfo group. It is an aryl sulfate and a member of indoles. It is a conjugate acid of a 6-hydroxyindole sulfate(1-).
The molecule C/C(=C\\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)/CO is a purine ribonucleoside 5'-monophosphate that is AMP substituted at position N-6 by a (2E)-4-hydroxy-3-methylbut-2-en-1-yl group. It has a role as a plant metabolite. It is an adenosine 5'-phosphate, a purine ribonucleoside 5'-monophosphate and a N-glycosylzeatin. It derives from an adenosine 5'-monophosphate. It is a conjugate acid of a 9-ribosyl-trans-zeatin 5'-phosphate(2-).
The molecule [C@H]1(N2C=CC(=O)NC2=O)[C@@H]([C@@H]([C@@]([C@H]([C@@H]([NH3+])C(=O)[O-])O)(O1)[H])O)O [C@H]1(N2C=CC(=O)NC2=O)[C@@H]([C@@H]([C@@]([C@H]([C@@H]([NH3+])C(=O)[O-])O)(O1)[H])O)O is major microspecies at pH 7.3. Its functional parent is uridine . Its functional parent is glycine zwitterion . It is also related to or classified as amino-acid zwitterion .
The molecule CC(C)C12CC1C(=C)CC2 CC(C)C12CC1C(=C)CC2 is A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. It has the role of plant metabolite . It is also related to or classified as thujene .
The molecule C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C=5C=CC=CC5)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C(C1C)C=CN=C6)=O)(C)O4)C)[H])=O)(O)C C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C=5C=CC=CC5)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C(C1C)C=CN=C6)=O)(C)O4)C)[H])=O)(O)C is A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum and Tripterygium wilfordii. It has the role of plant metabolite . It is also related to or classified as macrolide  .    It is also related to or classified as acetate ester  . It is also related to or classified as pyridine alkaloid , sesquiterpene alkaloid , benzoate ester , dihydroagarofuran sesquiterpenoid .
The molecule O=C(C1=CC=C(C=C1)C)CN2C(=N)SC3=C2CCCC3 O=C(C1=CC=C(C=C1)C)CN2C(=N)SC3=C2CCCC3 is A member of the class of  benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-imine substituted by a 2-(4-methylphenyl)-2-oxoethyl group at position 3. It is also related to or classified as imine  . It is also related to or classified as toluenes , benzothiazoles , aromatic ketone .
The molecule O1[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@@H]([C@H]([C@H](O)CO)O)[C@@H](CO)O)[C@H](O)CO O1[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@@H]([C@H]([C@H](O)CO)O)[C@@H](CO)O)[C@H](O)CO is A glycosyl alditol consisting of beta-D-galactofuranose and D-altritol residues joined in sequence by a (1->4) glycosidic bond. Its functional parent is D-altritol . Its functional parent is beta-D-galactofuranose . It is also related to or classified as glycosyl alditol .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O is A D-GalpNAc-(1->3)-D-GalpNAc in which the 2-acetamidogalactosyl group (attached to position 3 of the 2-acetamidogalactose moiety) has alpha- configuration. It is also related to or classified as D-GalpNAc-(1->3)-D-GalpNAc  .
The molecule O=C1CCC(=O)N1 O=C1CCC(=O)N1 is A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5. It is also related to or classified as dicarboximide  . It is also related to or classified as pyrrolidinone .
The molecule CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCCN)[C@@H](/C=C/CCCCCCCCC)O is a N-acyltetradecasphingosine-1-phosphoethanolamine in which the acyl group specified is heneicosanoyl. It is a ceramide phosphoethanolamine (35:1) and a N-acyltetradecasphingosine-1-phosphoethanolamine. It derives from a henicosanoic acid.
The molecule C/C=C/C1=CN2[C@@H](C1)[C@H](NC3=C(C(=C(C=C3C2=O)O[C@H]4[C@@H]([C@]([C@H]([C@@H](O4)C)NC)(C)O)O)C)O)O is an aminoglycoside antibiotic produced by Streptosporangium sibiricum that also exhibits antitumour properties. It has a role as a bacterial metabolite and an antineoplastic agent. It is a pyrrolobenzodiazepine, an aminoglycoside antibiotic, a member of phenols and a hemiaminal.
The molecule O([C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]([C@@H]1O)CO)O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO O([C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]([C@@H]1O)CO)O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO is an alpha-D-GalpNAc-(1->3)-D-GalpNAc in which the anomeric hydroxy group has alpha- configuration. It is also related to or classified as alpha-D-GalpNAc-(1->3)-D-GalpNAc  .
The molecule O=C(OC1=CC(=C([C@@H]([C@@H](O)[C@@H](C(=O)C)C)C)C=C1)/C=C/CO)C O=C(OC1=CC(=C([C@@H]([C@@H](O)[C@@H](C(=O)C)C)C)C=C1)/C=C/CO)C is Benwamycin C. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc45)[Co--]456N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc45)[Co--]456N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O is A cobalamin in which the central cobalt atom has an oxidation state of +3. It has the role of mouse metabolite . It is also related to or classified as cobalamin  .
The molecule [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/CCC [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/CCC is an alkylglucosinolate that is the conjugate base of propylglucosinolic acid. It is also related to or classified as alkylglucosinolate .
The molecule COC1=C(C=CC(=C1)/C=C/C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O is a beta-D-glucoside that is coniferaldehyde in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. It has a role as an Arabidopsis thaliana metabolite. It is a beta-D-glucoside, a monosaccharide derivative, an enal and a monomethoxybenzene. It derives from a coniferyl aldehyde.
The molecule CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 is an anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts normally that is normally used as a seed treatment. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is an anilide, an enamide, an oxacycle, an organosulfur heterocyclic compound, an anilide fungicide and a secondary carboxamide.
The molecule NC1CC(=O)NC1=O NC1CC(=O)NC1=O is A pyrrolidinone that is succinimide substituted by an amino group at position 3. It has the role of Maillard reaction product . Its functional parent is succinimide . It is also related to or classified as dicarboximide  . It is also related to or classified as pyrrolidinone , primary amino compound .