anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H](C1=NC=CC2=C1NC3=CC=CC=C23)O is a member of the class of beta-carbolines that is beta-carboline substituted by a 1-hydroxyethyl group at position 1 (the S enantiomer). It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a fungal metabolite. It is a member of beta-carbolines and a secondary alcohol. It derives from a beta-carboline.
The molecule C1=CC(=CN=C1)C(=O)NCCOCCOCCNC(=O)C2=CN=CC=C2 C1=CC(=CN=C1)C(=O)NCCOCCOCCNC(=O)C2=CN=CC=C2 is N-[2-[2-[2-[[oxo(3-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]-3-pyridinecarboxamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2 is a benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase. It has a role as a neuroprotective agent, an apoptosis inducer, an anti-inflammatory drug, an antioxidant, a hepatoprotective agent, a genotoxin, a radical scavenger, an enzyme mimic, an EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor, an EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, an EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, an EC 3.5.4.1 (cytosine deaminase) inhibitor and an EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor.
The molecule CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)OC CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)OC is 4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester. It is also related to or classified as benzenesulfonate ester  .
The molecule CCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O is an N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 18 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecasphing-4-enine.
The molecule CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F is an N-arylpiperazine that consists of piperazine carrying two 4-substituted phenyl groups at positions 1 and 4. A triazole antifungal drug. It has a role as a trypanocidal drug. It is a member of triazoles, a N-arylpiperazine, an organofluorine compound, a member of oxolanes, an aromatic ether, a conazole antifungal drug and a triazole antifungal drug.
The molecule C1CC(OC1)N2C=C(C(=O)N(C2=O)CC3=C(C=CC=C3Cl)F)F C1CC(OC1)N2C=C(C(=O)N(C2=O)CC3=C(C=CC=C3Cl)F)F is 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(2-oxolanyl)pyrimidine-2,4-dione. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyrimidines .
The molecule CC1=CC(=CC(=C1C(=O)O)[O-])O is a dihydroxybenzoate that is the conjugate base of o-orsellinic acid. It is a conjugate base of an o-orsellinic acid.
The molecule CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is the trisaccharide beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-D-GalNAc with alpha configuration at the anomeric centre of the N-acetylglucosamine residue at the reducing end. It is also related to or classified as beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-D-GalNAc  .
The molecule CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl is the hydrochloride salt of cycloguanil. It is an organic molecular entity and a hydrochloride. It contains a cycloguanil.
The molecule CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5 CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5 is N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C is a pyrazolooxadiazepine that is 7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin which is substituted at positions 8 and 9 by 2,6-diethyl-4-methylphenyl and pivaloyloxy groups, respectively. A pro-herbicide (by hydrolysis of the pivalate ester to give the corresponding enol), it is used for control of grass weeds in cereal crops. It has a role as a xenobiotic, an environmental contaminant, an agrochemical, an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor and a proherbicide. It is a pivalate ester and a pyrazolooxadiazepine. It derives from a pinoxaden acid.
The molecule COC1=CC=C(C=C1)C2C=CCN([C@@H](C(=O)N2CC3=CC=C(C=C3)F)CC4=CC=CC=C4)C(=O)C5CC5 COC1=CC=C(C=C1)C2C=CCN([C@@H](C(=O)N2CC3=CC=C(C=C3)F)CC4=CC=CC=C4)C(=O)C5CC5 is LSM-26077. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F is a pyridinecarboxamide that is pyridine-3-carboxamide substituted by a 2,4-difluorophenyl group at the carbamoyl nitrogen and a 3-(trifluoromethyl)phenoxy group at position 2. It has a role as an environmental contaminant, a xenobiotic, a herbicide and a carotenoid biosynthesis inhibitor. It is an aromatic ether, a member of (trifluoromethyl)benzenes and a pyridinecarboxamide.
The molecule CC1=C(C(=O)N=N1)NNC2=CC=CC=C2Cl CC1=C(C(=O)N=N1)NNC2=CC=CC=C2Cl is 4-[(2-chlorophenyl)hydrazo]-5-methyl-3-pyrazolone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(C[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-])C[NH3+] is a dicarboxylic acid monoanion that is the conjugate base of N(2)-succinyl-L-ornithine. It is a dicarboxylic acid monoanion and a N-acyl-L-alpha-amino acid anion. It is a conjugate base of a N(2)-succinyl-L-ornithine.
The molecule CC(=C1C(=O)OC(=N1)C2=CC=CO2)NCC3=CC(=CC=C3)Cl CC(=C1C(=O)OC(=N1)C2=CC=CO2)NCC3=CC(=CC=C3)Cl is 4-[1-[(3-chlorophenyl)methylamino]ethylidene]-2-(2-furanyl)-5-oxazolone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCC/C=C\\C(=O)OCC is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of dodec-2-enoic acid with the hydroxy group of ethanol. It is a long-chain fatty acid ethyl ester and an enoate ester.
The molecule COc1cc(CC2NCCc3cc(OC)c(O)cc23)ccc1O COc1cc(CC2NCCc3cc(OC)c(O)cc23)ccc1O is an isoquinoline alkaloid consisting of a tetrahydroisoquinoline core with 4-hydroxy-3-methoxybenzyl, methoxy and hydroxy substituents at positions 1, 6 and 7 respectively; major species at pH 7.3. It is also related to or classified as isoquinoline alkaloid , isoquinolinol , isoquinolines .
The molecule CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])[O-])O is an S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-decanoyl-4'-phosphopantetheine; major species at pH 7.3. It is a conjugate base of a S-decanoyl-4'-phosphopantetheine.
The molecule C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO is (2R,3R,4R)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of flufenamic acid. It has a role as an antipyretic, a non-steroidal anti-inflammatory drug and a non-narcotic analgesic. It is a monocarboxylic acid anion and an aromatic amino-acid anion. It derives from a diphenylamine, an anthranilic acid and a (trifluoromethyl)benzene. It is a conjugate base of a flufenamic acid.
The molecule COC1=C(C=CC(=C1)C(C#N)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O COC1=C(C=CC(=C1)C(C#N)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(=O)O[C@H]1CCN2C1CC[C@@H](C2)N is an indolizidine alkaloid that is octahydroindolizine substituted by an amino group at position 6 and an acetyloxy group at position 1. It has a role as a metabolite and a mycotoxin. It is an indolizidine alkaloid and an acetate ester.
The molecule CCOC(=O)C1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4 CCOC(=O)C1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4 is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-4-piperidinecarboxylic acid ethyl ester. It is also related to or classified as amino acid amide .
The molecule CCCCCC(C(C=CC(CCCCCCCC(=O)O)O)O)O is a TriHOME that is octadec-10-enoic acid in which the three hydroxy substituents are located at positions 9, 12 and 13. It has a role as a plant metabolite. It is a TriHOME and a long-chain fatty acid.
The molecule CN1/C(=C/C=C/C2=CC=[N+](C3=CC=CC=C23)CCCC(=[N+](C)C)CCCC(=[N+](C)C)CCC[N+]4=CC=C(C5=CC=CC=C45)/C=C/C=C/6\\SC7=CC=CC=C7N6C)/SC8=CC=CC=C18 is the tetracation of ToTo-3 dye. It has a role as a fluorochrome. It is a cyanine dye, a benzothiazolium ion, a quinolinium ion and an iminium ion.
The molecule CCN(CC)CCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=C(C=C3)C CCN(CC)CCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=C(C=C3)C is 1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule C1=CC(=CC=C1NC2=C(C=NC=C2)S(=O)(=O)N)Cl C1=CC(=CC=C1NC2=C(C=NC=C2)S(=O)(=O)N)Cl is 4-(4-chloroanilino)-3-pyridinesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as pyridines .
The molecule C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O is a Good's buffer substance, pKa = 6.8 at 20 ℃. It is a conjugate acid of a 2,2'-piperazine-1,4-diylbisethanesulfonate.
The molecule [H][C@@]1(CC=C(C)C=C1)[C@@H](C)CCC=C(C)C [H][C@@]1(CC=C(C)C=C1)[C@@H](C)CCC=C(C)C is 2-Methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (S configuration). It is a sesquiterpene found in the dried rhizomes of Indonesian ginger, Zingiber officinale. It is also related to or classified as sesquiterpene  . It is also related to or classified as cyclohexadiene  .
The molecule C1=CC(=CC=C1/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O)CO)O)O is an O-acyl carbohydrate that is beta-D-glucose bearing a trans-4-coumaroyl substituent at position 4. It has a role as a metabolite. It is an O-acyl carbohydrate, a member of phenols and a cinnamate ester. It derives from a trans-4-coumaric acid and a beta-D-glucose.
The molecule C1=CC(=CC=C1C2=CSC3=C2C(=S)NC=N3)Cl C1=CC(=CC=C1C2=CSC3=C2C(=S)NC=N3)Cl is 5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidine-4-thione. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2N CC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2N is 3-amino-2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C(C(CO)(CO)[NH3+])O is a triol. It has a role as a buffer. It is a conjugate acid of a member of tris.
The molecule CCN(CC)CCCNC1=C(C(=CC(=N1)C)COC)C#N CCN(CC)CCCNC1=C(C(=CC(=N1)C)COC)C#N is 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule CC(=O)CSC1=NC=C(C=C1)C(=O)O CC(=O)CSC1=NC=C(C=C1)C(=O)O is 6-(2-oxopropylthio)-3-pyridinecarboxylic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-bisphosphate; major species at pH 7.3. It is a conjugate base of a 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate.
The molecule [I-].[H]C(=C([H])C([H])=C1N(CC)c2ccccc2C1(C)C)C([H])=C([H])C1=[N+](CC)c2ccccc2C1(C)C [I-].[H]C(=C([H])C([H])=C1N(CC)c2ccccc2C1(C)C)C([H])=C([H])C1=[N+](CC)c2ccccc2C1(C)C is A C5 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end. It has the role of fluorochrome . It is also related to or classified as Cy5 dye  . It is also related to or classified as organic iodide salt .
The molecule CC1=C(C(C2C(=N1)CC(CC2=O)(C)C)C3=CC=CO3)C(=O)OCC4=CC=CC=C4 CC1=C(C(C2C(=N1)CC(CC2=O)(C)C)C3=CC=CO3)C(=O)OCC4=CC=CC=C4 is LSM-26114. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule CC(=O)NCCCCC(=O)C(=O)[O-] is a 2-oxo monocarboxylic acid anion that is the conjugate base of 6-acetamido-2-oxohexanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 6-acetamido-2-oxohexanoic acid.
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O is an amino disaccharide that is beta-L-fucose in which the hydroxy group at position 3 has been converted into the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranoside. It is an amino disaccharide and a member of acetamides. It derives from a beta-L-fucose and a N-acetyl-beta-D-glucosamine.
The molecule OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O is A glycosylmannose consisting of two D-mannopyranose residues joined via an alpha-(1->6)-linkage. It is also related to or classified as glycosylmannose .
The molecule C1=C(CCCN(C2=C1C=C(C=C2)C=3C=CC(=CC3)OCCOCCCC)CC(C)C)C(=O)NC=4C=CC(=CC4)[S@](CC=5N(C=NC5)CCC)=O C1=C(CCCN(C2=C1C=C(C=C2)C=3C=CC(=CC3)OCCOCCCC)CC(C)C)C(=O)NC=4C=CC(=CC4)[S@](CC=5N(C=NC5)CCC)=O is A member of the class of benzazocines that is (5Z)-1,2,3,4-tetrahydro-1-benzazocine which is substituted by a 2-methylpropyl, N-{4-[(S)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]phenyl}carboxamide and 4-(2-butoxyethoxy)phenyl groups at positions 1, 5 and 8, respectively. It is a potent chemokine 2 and 5 receptor antagonist currently in development for the treatment of liver fibrosis in adults with nonalcoholic steatohepatitis (NASH). It has the role of chemokine receptor 2 antagonist . It has the role of antifibrotic agent . It has the role of antirheumatic drug . It has the role of chemokine receptor 5 antagonist . It has the role of anti-HIV agent . It has the role of anti-inflammatory agent . It is also related to or classified as secondary carboxamide  . It is also related to or classified as sulfoxide  . It is also related to or classified as imidazoles , aromatic ether , benzazocine , diether .
The molecule [H][C@]1(C[C@@]2([H])NCCc3ccccc23)C[C@]2([H])N(CCc3ccccc23)C[C@@H]1CC [H][C@]1(C[C@@]2([H])NCCc3ccccc23)C[C@]2([H])N(CCc3ccccc23)C[C@@H]1CC is emetan. It is also related to or classified as isoquinoline alkaloid , isoquinolines , isoquinoline alkaloid fundamental parent .
The molecule CCCCC/C=C\\C/C=C\\C=C/1\\[C@H](O1)C/C=C\\CCCC(=O)O is an EpETE that is (5Z,9Z,11Z,14Z)-icosatetraenoic acid in which the epoxide function is located across positions 8 and 9. It is a conjugate acid of a (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoate.
The molecule C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OS(=O)(=O)O is a monosaccharide sulfate consisting of D-glucose having the sulfate group at the 6-position. It derives from a D-glucose. It is a conjugate acid of a D-glucose 6-sulfate(1-).
The molecule CCCNC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@H]1C)C)OC)C CCCNC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@H]1C)C)OC)C is (5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OP(=O)([O-])OP(=O)([O-])[O-] is a trivalent inorganic anion obtained by removal of all three protons from diphosphoric acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a diphosphate ion and a trivalent inorganic anion. It is a conjugate base of a diphosphate(2-). It is a conjugate acid of a diphosphate(4-).
The molecule CC1=CC(=NO1)NC(=O)C=CC2=CC=CC=C2 CC1=CC(=NO1)NC(=O)C=CC2=CC=CC=C2 is N-(5-methyl-3-isoxazolyl)-3-phenyl-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCC(=O)O)O)OC(=O)C2=CNC3=CC=CC=C32 is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (10R)-10-hydroxyundecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside, a monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from a (10R)-10-hydroxyundecanoic acid and an ascr#18.
The molecule CCC/C=C/C(=O)[O-] is a monounsaturated fatty acid anion that is the conjugate base of (2E)-hexenoic acid. It has a role as a metabolite. It is a conjugate base of a (2E)-hexenoic acid.
The molecule C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C is 1-(2,5-difluorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C(=C1)C(=O)O)I(=O)=O is a benzoic acid compound having an iodyl substituent at the ortho-position. It is a member of benzoic acids and an organoiodine compound. It is a tautomer of a 1-hydroxy-1,3-dioxobenziodoxole.
The molecule CC1=C(C(=NO1)C)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4 CC1=C(C(=NO1)C)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4 is 3,5-dimethyl-4-[[(5-phenyl-3-thiazolo[2,3-c][1,2,4]triazolyl)thio]methyl]isoxazole. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule [C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O is a glucarolactone formed via intramolecular cyclocondensation of the 5-hydroxy and 1-carboxy groups of D-glucaric acid. It is a carbohydrate acid and a glucarolactone. It derives from a D-glucaric acid. It is a conjugate acid of a D-glucaro-1,5-lactone(1-).
The molecule CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C is 1-(4-chlorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=NC5=O)N)N6C=CC(=NC6=O)N)O is a polynucleotide comprised of 2'-deoxycytidine units connected via 3'->5' phosphodiester linkages. It contains a 2'-deoxycytidine 5'-monophosphate residue, a dCMP 3'-end residue and a dCMP 5'-end residue.
The molecule OCC(=O)[C@@H](O)[C@H](O)C(=O)C([O-])=O OCC(=O)[C@@H](O)[C@H](O)C(=O)C([O-])=O is conjugate base of 2,5-didehydro-D-gluconic acid. Its functional parent is D-gluconate . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O is a tartrate salt that is the hemitartrate salt of pimavanserin. An atypical antipsychotic that is used for treatment of hallucinations and delusions associated with Parkinson's disease. It has a role as an antipsychotic agent, a serotonergic antagonist and a 5-hydroxytryptamine 2A receptor inverse agonist. It contains a pimavanserin(1+).
The molecule O(C)C1=CC2=C(NC=C2C[C@H]([NH3+])C(=O)[O-])C=C1 O(C)C1=CC2=C(NC=C2C[C@H]([NH3+])C(=O)[O-])C=C1 is A zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of 5-methoxy-L-tryptophan; major species at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule CC1CC2=CC=CC=C2N1C3=NC=NC4=C3N=NN4CC5=CC=CC=C5 CC1CC2=CC=CC=C2N1C3=NC=NC4=C3N=NN4CC5=CC=CC=C5 is 7-(2-methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule C1=CC=C(C(=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)C5(C6=CC(=C(C=C6OC7=CC(=C(C=C75)Cl)[O-])[O-])Cl)OC4=O)N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+] is a xanthene dye-based amide comjugate. It has a role as a fluorochrome. It is a xanthene dye and an organic potassium salt. It contains a calcium green 1(6-). It derives from a fluorescein.
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]3CO[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O)O)O)O[C@H]5CC[C@@]6([C@H]7CC[C@@]89[C@@H]1CC(CC[C@]1(CO8)[C@@H](C[C@]9([C@@]7(CC[C@H]6C5(C)C)C)C)O)(C)C)C)CO)O)O)O)O)O is a triterpenoid saponin that is (3beta,16alpha)-13,28-epoxyoleanane-3,16-diol attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. It has been isolated from the aerial parts of Lysimachia clethroides. It has a role as a plant metabolite. It is a cyclic ether, a secondary alcohol, a hexacyclic triterpenoid, a tetrasaccharide derivative, a triterpenoid saponin and an acetate ester. It derives from a hydride of an oleanane.
The molecule C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C is N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)NC1=NN=C(S1)S(=O)(=O)N is a sulfonamide, a member of thiadiazoles and a monocarboxylic acid amide. It has a role as a diuretic, an anticonvulsant and an EC 4.2.1.1 (carbonic anhydrase) inhibitor. It is a conjugate acid of an acetazolamide(1-). It derives from a hydride of a 1,3,4-thiadiazole.
The molecule CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O is an N-acetyl-D-galactosamine having alpha-configuration at the anomeric centre. It has the role of epitope . Its functional parent is alpha-D-galactosamine . It is also related to or classified as N-acetyl-D-galactosamine  .
The molecule [I-].[H]C(=CC([H])=C1Oc2ccccc2N1CC)c1oc2ccccc2[n+]1CC [I-].[H]C(=CC([H])=C1Oc2ccccc2N1CC)c1oc2ccccc2[n+]1CC is A C3 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end. It has the role of fluorochrome . It is also related to or classified as cyanine dye , organic iodide salt , 1,3-benzoxazoles .