anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCC=2C=CC=CC2)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCC=2C=CC=CC2)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O is an alpha-galactosylceramide in which the nitrogen carries a hexacosanamido group and C-4 carries in addition to a hydroxy function a 9-phenylnonyl group. Essentially a phytosphingosine analogue with a truncated lipid chain terminating in a benzene ring, it has been used in investigations on the binding affinity of glycolipids to CD1d molecules. Its functional parent is alpha-D-galactose . It is also related to or classified as alpha-galactosylceramide  .
The molecule [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC)[C@@H]1O [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC)[C@@H]1O is thevetin B. Its functional parent is digitoxigenin . It is also related to or classified as gentiobiosylthevetoside  . It is also related to or classified as trisaccharide derivative .
The molecule OC[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O is A UDP-sugar having D-galactose as the sugar component. It has the role of human metabolite . It is a conjugate acid of UDP-D-galactose(2-) . It is also related to or classified as UDP-sugar  .
The molecule [O-]P(=O)([O-])[Se-] is a trivalent inorganic anion obtained by removal of all three protons from selenophosphoric acid. It has a role as a human metabolite. It is a phosphorus oxoanion and a trivalent inorganic anion.
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]2OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)CO)O)O)O)O)O is a C-glycosyl compound that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by an alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl moiety. It has a role as a metabolite. It is a dihydroxyflavone, a C-glycosyl compound, a glycosyloxyflavone and a disaccharide derivative. It derives from an isovitexin.
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A high-mannose oligosaccharide consisting of one D-glucosyl residue, eight D-mannosyl residues and two N-acetylglucosamine residues, one of which is at the reducing end. It is also related to or classified as high-mannose oligosaccharide , N-glycan derivative .
The molecule O(C1[C@@H](O)[C@@H](O)C(O[C@H]1OC=2C(=O)C3=C(OC2C4=CC=C(O)C=C4)C(=C(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)C=C3O)CC=C(C)C)C)[C@@H]6OC[C@@H](O)C(O)C6O O(C1[C@@H](O)[C@@H](O)C(O[C@H]1OC=2C(=O)C3=C(OC2C4=CC=C(O)C=C4)C(=C(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)C=C3O)CC=C(C)C)C)[C@@H]6OC[C@@H](O)C(O)C6O is Epimedoside E. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@@]1(C(N=C(N1)C2=C(C=CC=N2)C(=O)O)=O)(C)C(C)C [C@@]1(C(N=C(N1)C2=C(C=CC=N2)C(=O)O)=O)(C)C(C)C is A 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid that has S configuration. It is a conjugate acid of (S)-imazapyr(1-) . It is also related to or classified as 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid  .
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCC=2C=CC=CC2)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCC=2C=CC=CC2)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O is an alpha-galactosylceramide in which the nitrogen carries a hexacosanamido group and C-4 carries in addition to a hydroxy function a 7-phenylhexyl group. Essentially a phytosphingosine analogue with a truncated lipid chain terminating in a benzene ring, it has been used in investigations on the binding affinity of glycolipids to CD1d molecules. Its functional parent is alpha-D-galactose . It is also related to or classified as alpha-galactosylceramide  .
The molecule CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)O CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)O is tasquinimod is a quinoline-3-carboxamide linomide analogue with antiangiogenic and potential antineoplastic activities. Tasquinimod has been shown to decrease blood vessel density but the exact mechanism of action is not known. This agent has also been shown to augment the antineoplastic effects of docetaxel and androgen ablation in a murine model of prostate cancer involving human prostate cancer xenografts. It is also related to or classified as organic molecular entity .
The molecule C(OCC1CCCO1)(=O)C=2C=CC=NC2 C(OCC1CCCO1)(=O)C=2C=CC=NC2 is thurfyl nicotinate. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule C1C(=NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] is dianion of dihydrofolic acid arising from deprotonation of both carboxylic acid functions. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a dicarboxylic acid dianion and a member of dihydrofolates. It is a conjugate base of a dihydrofolic acid.
The molecule C1(C(N=C(N1)C2=C(C=CC=N2)C(=O)O)=O)(C(C)C)C C1(C(N=C(N1)C2=C(C=CC=N2)C(=O)O)=O)(C(C)C)C is A pyridinemonocarboxylic acid that is nicotinic acid which is substituted at position 2 by a 4,5-dihydro-imidazol-2-yl group, which in turn is substituted at positions 4, 4, and 5 by isopropyl, ethyl, and oxo groups, respectively. It is also related to or classified as imidazolone , pyridinemonocarboxylic acid , imidazolines , pyridines .
The molecule CCCCC/C(/[H])=C(/[H])\C/C(/[H])=C(/[H])\CCCCCCCCC(=O)O CCCCC/C(/[H])=C(/[H])\C/C(/[H])=C(/[H])\CCCCCCCCC(=O)O is 10(Z),13(Z)-Nonadecadienoic acid, a polyunsaturated fatty acid characterized by its 19-carbon chain and the presence of two cis double bonds located at the 10th and 13th carbon atoms, plays a significant role in the field of biochemical research, particularly in the study of lipid metabolism and membrane biology. It is also related to or classified as organic molecular entity .
The molecule CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC is A member of the class of benzamides resulting from the formal condensation of the carboxy group of 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid with the primary amino group of 2-(aminomethyl)-1-ethylpyrrolidine. It is a potent, selective dopamine D2 and D3 receptor antagonist. It is an atypical antipsychotic/antischizophrenic agent with limited extrapyrimidal side effects. It has the role of xenobiotic . It has the role of second generation antipsychotic . It has the role of environmental contaminant .   It is also related to or classified as sulfone  . It is also related to or classified as benzamides , aromatic amine , pyrrolidines , aromatic amide .
The molecule [NH4+].[NH4+].[NH4+].[NH4+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N [NH4+].[NH4+].[NH4+].[NH4+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N is ammonium hexacyanoferrate(4-). It is also related to or classified as hexacyanoferrate(4-) salt , ammonium salt .
The molecule CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N is A pentol that is (3S,5R,10R,12S,14S,15R,16R)-12,16-dimethylicosane-3,5,10,14,15-pentol in which the pro-S hydrogen at position 2 is substituted by an amino group. It results from hydrolysis of the O-acyl bonds of fumonisin B1. It is also related to or classified as pentol  . It is also related to or classified as primary amino compound .
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCC=2C=CC=CC2)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCC=2C=CC=CC2)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O is an alpha-galactosylceramide in which the nitrogen carries a hexacosanamido group and C-4 carries in addition to a hydroxy function a 4-phenylbutyl group. Essentially a phytosphingosine analogue with a truncated lipid chain terminating in a benzene ring, it has been used in investigations on the binding affinity of glycolipids to CD1d molecules. Its functional parent is alpha-D-galactose . It is also related to or classified as alpha-galactosylceramide  .
The molecule C(OCC)(=O)N1[C@H](C(O)=O)CSC1 C(OCC)(=O)N1[C@H](C(O)=O)CSC1 is telmesteine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O is a diisocyanate consisting of dicyclohexylmethane with two isocyanate groups at the 4- and 4'-positions. It has a role as an allergen.
The molecule CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O is a (2S)-2-methylacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2S)-2-methyltetradecanoic acid. It is a (2R)-2-methylacyl-CoA and a long-chain fatty acyl-CoA. It is a conjugate acid of a (2S)-2-methyltetradecanoyl-CoA(4-).
The molecule Oc1cccc2c(O)nccc12 Oc1cccc2c(O)nccc12 is an isoquinolinol that is isoquinoline in which the hydrogens at positions 1 and 5 are replaced by hydroxy groups. It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It is also related to or classified as isoquinolinol .
The molecule CNC(=O)CCC(=O)C(O)=O CNC(=O)CCC(=O)C(O)=O is N-methyl-2-oxoglutaramic acid. Its functional parent is 2-oxoglutaramic acid . It is a conjugate acid of N-methyl-2-oxoglutaramate . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[NH3+])O)O)[NH3+])O[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)O)[NH3+] is an organic cation obtained by protonation of the four free amino groups and deprotonation of the phosphate OH groups of 5''-phosphoribostamycin; major species at pH 7.3. It is an organic cation and an ammonium ion derivative. It derives from a ribostamycin(4+). It is a conjugate acid of a 5''-phosphoribostamycin.
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCC=2C=CC=CC2)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCC=2C=CC=CC2)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O is an alpha-galactosylceramide in which the nitrogen carries a hexacosanamido group and C-4 carries in addition to a hydroxy function a 2-phenylethyl group. Essentially a phytosphingosine analogue with a truncated lipid chain terminating in a benzene ring, it has been used in investigations on the binding affinity of glycolipids to CD1d molecules. Its functional parent is alpha-D-galactose . It is also related to or classified as alpha-galactosylceramide  .
The molecule [H][C@]1(OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)[C@H](O)CO [H][C@]1(OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)[C@H](O)CO is A UDP-sugar having D-galactose as the sugar component. It is a conjugate acid of UDP-D-galactofuranose(2-) . It is also related to or classified as UDP-sugar  .
The molecule COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)/C=C(\\C#N)/C(=O)N is an organic sulfide that consists of 1,3-benzothiazole-2-thiol in which the hydrogen attached to the sulfur atom is replaced by a 5-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-hydroxy-3-methoxybenzyl group. It acts as an epidermal growth factor receptor antagonist. It has a role as an epidermal growth factor receptor antagonist. It is an enamide, a nitrile, a member of phenols, an aromatic ether, a member of benzothiazoles, an organic sulfide and a primary carboxamide. It derives from a 1,3-benzothiazole-2-thiol.
The molecule [H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O [H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O is A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups. It has the role of EC 3.5.2.6 (beta-lactamase) inhibitor . It has the role of antibacterial drug . It has the role of drug allergen . It is a conjugate acid of ceftriaxone(1-) . It is also related to or classified as cephalosporin  . It is also related to or classified as oxime O-ether  . It is also related to or classified as 1,3-thiazoles , 1,2,4-triazines .
The molecule CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 is A monocarboxylic acid amide that is the methylamide of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutanoic acid. It has the role of drug metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as piperidines , monochlorobenzenes .
The molecule O(C(=O)[C@@]12CC[C@]3([C@@]4(CC[C@]5([C@]([C@H](CC[C@@]5([C@]4(CC=C3[C@@]1(CC(C)(C)CC2)[H])[H])C)O)(C)C([O-])=O)[H])C)C)[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O O(C(=O)[C@@]12CC[C@]3([C@@]4(CC[C@]5([C@]([C@H](CC[C@@]5([C@]4(CC=C3[C@@]1(CC(C)(C)CC2)[H])[H])C)O)(C)C([O-])=O)[H])C)C)[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O is gypsogenate 28-beta-D-glucoside(1-). Its functional parent is gypsogenic acid . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as monosaccharide derivative .
The molecule C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O is a kaempferol O-glucoside that is kaempferol attached to a beta-L-glucopyranosyl moiety at position 3 via a glycosidic linkage. It has a role as a metabolite. It is a beta-L-glucoside, a kaempferol O-glucoside, a monosaccharide derivative, a trihydroxyflavone and a member of flavonols. It derives from a beta-L-glucose.
The molecule C1=2C[C@@H]3[C@@]4(CCC([C@H]5[C@@]4(C1=C(C(=CC2)O)O5)CC[NH+]3CC=C)=O)O C1=2C[C@@H]3[C@@]4(CCC([C@H]5[C@@]4(C1=C(C(=CC2)O)O5)CC[NH+]3CC=C)=O)O is an ammonium ion resulting from the protonation of the nitrogen of naloxone. It is a conjugate acid of naloxone . It is also related to or classified as ammonium ion derivative .
The molecule C(=CC(NCCO)=O)C1=CC=CC=C1 C(=CC(NCCO)=O)C1=CC=CC=C1 is idrocilamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the 1- and 2-acyl groups are specified as heptadecanoyl and oleoyl respectively. It derives from an oleic acid and a heptadecanoic acid.
The molecule [NH3+][C@@H](CNC(=O)C([O-])=O)C([O-])=O [NH3+][C@@H](CNC(=O)C([O-])=O)C([O-])=O is the conjugate base of N(3)-oxalyl-L-2,3-diaminopropionic acid having anionic carboxy groups and a protonated primary amino group; major species at pH 7.3. It is also related to or classified as alpha-amino-acid anion .
The molecule NC(=O)c1cccc(N)c1 NC(=O)c1cccc(N)c1 is A substituted aniline that is benzamide in which one of the meta- hydrogens is replaced by an amino group. It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It is also related to or classified as benzamides , substituted aniline .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC4[C@@H]([C@@H]([C@H](O4)CO)O)O)O)OP(=O)([O-])[O-])N is tetraanion of ADP-D-ribose 2'-phosphate. It has a role as a human metabolite. It is a conjugate base of an ADP-D-ribose 2'-phosphate.
The molecule [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O is conjugate base of penicillin N. It is also related to or classified as penicillinate anion  .
The molecule CNC(=O)C1=CC=CC2=C1C=CC(=C2)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC is a naphthalenecarboxamide obtained from formal condensation of the carboxy group of aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-1-naphthoic acid with methylamine. It has a role as an antineoplastic agent, a fibroblast growth factor receptor antagonist and a vascular endothelial growth factor receptor antagonist. It is a member of quinolines, an aromatic ether, a member of cyclopropanes, a primary amino compound and a naphthalenecarboxamide. It is a conjugate base of an E-3810(1+).
The molecule C=1C=2NC=C(C2C(=CC1)O)CCN C=1C=2NC=C(C2C(=CC1)O)CCN is A member of the class of tryptamines that is tryptamine in which the the indole ring has been substituted by a hydroxy group at position 4. It is also related to or classified as tryptamines , primary amino compound , hydroxyindoles .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O is A nicotinic acid dinucleotide that is NADP(+) in which the carboxamide group on the pyridine ring is replaced by a carboxy group. It has the role of metabolite . It has the role of calcium channel agonist . It has the role of signalling molecule . Its functional parent is NADP(+) . It is a conjugate acid of nicotinate-adenine dinucleotide phosphate(4-) . It is also related to or classified as nicotinic acid dinucleotide .
The molecule C[N+](C)(C)CCCCC[N+](C)(C)C C[N+](C)(C)CCCCC[N+](C)(C)C is A quarternary ammonium cation that is cadaverine in which the terminal amino hydrogens are substituted methyl groups. Its bromide and iodide salt exhibits ganglionic blocking activity and used in the treatment of hypertension. It has the role of vasodilator agent . It has the role of antihypertensive agent . Its functional parent is cadaverine . It is also related to or classified as quaternary ammonium ion  .
The molecule CC(=C)C(CC1=CC(=CC2=C1OC(C=C2)(C)C)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O is an extended flavonoid that is 2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-one substituted by hydroxy groups at positions 5 and 7 and a 2-hydroxy-3-methylbut-3-en-1-yl group at position 8'. Isolated from Epimedium sagittatum, it exhibits inhibitory activity against platelet aggregation. It has a role as a metabolite and a platelet aggregation inhibitor. It is a dihydroxyflavone, an extended flavonoid and a secondary alcohol.
The molecule CC1=CC2=C(C=C1)C(CCC2)(C)C is a member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively. It has a role as a metabolite. It is a member of tetralins and an ortho-fused bicyclic hydrocarbon. It derives from a hydride of a tetralin.
The molecule CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1 CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1 is A monocarboxylic acid amide that is the N-octyl amide of homovanillic acid. It has the role of protective agent . Its functional parent is homovanillic acid . It is also related to or classified as guaiacols  . It is also related to or classified as monocarboxylic acid amide  .
The molecule [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O is an inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt. It has the role of chelator . It has the role of food emulsifier . It has the role of food thickening agent . It is also related to or classified as inorganic sodium salt .
The molecule CO/C=C(\\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)O is an aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 1-carboxy-2-methoxyethenyl substituent, also at C-2. It is a metabolite of the fungicidal agrochemical azoxystrobin. It has a role as a marine xenobiotic metabolite. It is an aromatic ether, an aryloxypyrimidine, an enol ether and a nitrile.
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCC=2C=CC(=CC2)C=3C=CC=CC3)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCC=2C=CC(=CC2)C=3C=CC=CC3)=O is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an 11-([1,1'-biphenyl]-4-yl)undecanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule [Br-].[Br-].C[N+](C)(C)CCCCC[N+](C)(C)C [Br-].[Br-].C[N+](C)(C)CCCCC[N+](C)(C)C is the bromide salt of pentamethonium. It is a ganglion blocker and exhibits antihypertensive activity. It has the role of vasodilator agent . It has the role of antihypertensive agent . It is also related to or classified as bromide salt , quaternary ammonium salt .
The molecule C([C@H]([C@@H]([C@H](C=O)O)O)O)C(=O)O is the 5-deoxygenated analogue of D-glucuronic acid. It derives from a D-glucuronic acid. It is a conjugate acid of a 5-deoxy-D-glucuronate.
The molecule CC(C)CCCC(C)CCCC(C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CC(C)CCCC(C)CCCC(C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is pristanoyl-CoA in which C-2 of the pristanoyl group has S-configuration. It is a conjugate acid of (2S)-pristanoyl-CoA(4-) . It is also related to or classified as pristanoyl-CoA  .
The molecule O=C1N2[C@@]34N(C=5C=CC=CC5[C@@]3(O)C[C@H]2C(=O)N6C1=CC=7C8=C(C=CC=C8)NC7C(C=C6)(C)C)C(C4CO)(C)C O=C1N2[C@@]34N(C=5C=CC=CC5[C@@]3(O)C[C@H]2C(=O)N6C1=CC=7C8=C(C=CC=C8)NC7C(C=C6)(C)C)C(C4CO)(C)C is okaramine E. Its functional parent is okaramine A . It is also related to or classified as pyrroloindole .
The molecule Cl.[H][C@@]12CCC3=C(C=C(O)C=C3)[C@@]1([H])OCCN2CCC Cl.[H][C@@]12CCC3=C(C=C(O)C=C3)[C@@]1([H])OCCN2CCC is the hydrochloride salt of naxagolide. It has the role of anticonvulsant . It has the role of antiparkinson drug . It has the role of dopamine agonist . It is also related to or classified as hydrochloride .