anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [C-]#[C-] [C-]#[C-] is the dianion formed by loss of the two protons from acetylene (ethyne). It is also related to or classified as diatomic carbon .
The molecule CC1=C(C2=C(C3=C1OC4=C([C@@H]3C(C)C)C(=O)C(C(=C4C)OC)(C)C)O[C@@H](CC2=O)C5=CC=CC=C5)O is an organic heterotetracyclic compound that is 2,3,10,12-tetrahydro-4H,11H-pyrano[2,3-a]xanthene-4,11-dione substituted by methyl groups at positions 6, 8, 10, and 10, and by hydroxy, isopropyl, methoxy, phenyl, and groups at positions 5, 12, 9, and 2, respectively (the S,R-enantiomer). It is isolated from the leaves of Baeckea frutescens and exhibits cytotoxicity against leukemia cells. It has a role as a metabolite and an antineoplastic agent. It is an ether, an extended flavonoid, an organic heterotetracyclic compound and a member of phenols.
The molecule CC1c2c(OC1(C)C)n(C)c1ccccc1c2=O CC1c2c(OC1(C)C)n(C)c1ccccc1c2=O is Lemobiline. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC([O-])=O)C([O-])=O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+])OC(=O)C[C@@H](CC([O-])=O)C([O-])=O CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC([O-])=O)C([O-])=O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+])OC(=O)C[C@@H](CC([O-])=O)C([O-])=O is A tetracarboxylic acid anion resulting from the protonation of the amino group and the deprotonation of all four carboxy groups of fumonisin B1. This is the major species at pH 7.3. It is also related to or classified as ammonium ion derivative , tetracarboxylic acid anion .
The molecule O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Zn+2] is a hydrate that is the hexahydrate form of zinc sulfate. It is a hydrate and a metal sulfate. It contains a zinc sulfate.
The molecule OC[C@H](COP([O-])(=O)OC[C@@H](CO)O)OC(CCCCCCC/C=C\CCCCCCCC)=O OC[C@H](COP([O-])(=O)OC[C@@H](CO)O)OC(CCCCCCC/C=C\CCCCCCCC)=O is an anionic phospholipid that is the conjugate base of (R,R)-2-oleoylglycero-1-phospho-1'-glycerol obtained by deprotonation of the phosphate OH group; major species at pH 7.3. It is also related to or classified as anionic phospholipid .
The molecule O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O is A UDP-sugar having alpha-D-glucuronic acid as the sugar component. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is alpha-D-glucuronic acid . It is a conjugate acid of UDP-alpha-D-glucuronate(3-) . It is also related to or classified as UDP-D-glucuronic acid  .
The molecule C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@@H]4[C@H]([C@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O is a proanthocyanidin obtained by the condensation of (-)-epicatechin units. It has a role as an antioxidant, an anti-HIV agent, a metabolite and an angiogenesis modulating agent. It is a hydroxyflavan and a proanthocyanidin. It derives from a (-)-epicatechin.
The molecule CC(C)=C1CCC([C@]2(CCC(C3=C([C@]21[H])C(C)CC3)C)[H])C CC(C)=C1CCC([C@]2(CCC(C3=C([C@]21[H])C(C)CC3)C)[H])C is A diterpene that is produced by a diterpene synthase from Catenulispora acidiphila. It has the role of bacterial metabolite . It is also related to or classified as diterpene  . It is also related to or classified as organic tricyclic compound .
The molecule OC(C[NH+]1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 OC(C[NH+]1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 is an organic cation that is the conjugate acid of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol, arising from selective protonation of one of the piperazine nitrogens. It is a conjugate acid of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O(C(=O)[C@@]12[C@@H](C[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)O)[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O O(C(=O)[C@@]12[C@@H](C[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)O)[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O is 16alpha-hydroxygypsogenate 28-beta-D-glucoside(1-). Its functional parent is 16alpha-hydroxygypsogenate(2-) . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule C1(=C(Cl)C=CC=C1)[C@@H](CNC(C)C)O C1(=C(Cl)C=CC=C1)[C@@H](CNC(C)C)O is A  1-(2-chlorophenyl)-2-isopropylaminoethanol that has (S)-configuration. It is also related to or classified as 1-(2-chlorophenyl)-2-isopropylaminoethanol  .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H](C#N)C3=CC=CC=C3)O)O)O)O)O)O is a disaccharide derivative that is 6-O-beta-D-xylopyranosyl-beta-D-glucopyranose having an (R)-mandelonitrile group at the anomeric position. It is a glycoside and a disaccharide derivative. It derives from a (R)-mandelonitrile.
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O)O is an N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 26 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecaphytosphingosine.
The molecule Cl.OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 Cl.OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 is A hydrochloride that is the monohydrochloride salt of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol. A selective h5-HT1D antagonist, displaying 60-fold selectivity over h5-HT1B, and exhibiting little or no affinity for a range of other receptor types. It has the role of serotonergic antagonist . It has the role of prodrug . It is also related to or classified as hydrochloride .
The molecule ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O is A member of the class of imidazoles that is 1H-imidazole substituted by (4-cyanophenyl)methyl and [4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl groups at positions 1 and 5, respectively. It is a dual inhibitor of FPTase and GGPTase-I. It has the role of antineoplastic agent . It has the role of EC 2.5.1.58 (protein farnesyltransferase) inhibitor . It has the role of EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor . It is also related to or classified as nitrile  . It is also related to or classified as imidazoles , piperazinone , tertiary amino compound , monochlorobenzenes .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)NCCO)O)O is a hydroxy fatty amide ascaroside obtained by obtained by formal condensation of the 26-hydroxy group of (26R)-26-hydroxy-N-(2-hydroxyethyl)-3-oxoheptacosanamide with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a hydroxy fatty amide ascaroside, a N-acylethanolamine and a monocarboxylic acid amide.
The molecule CCN1CCN(CC2=CC=C(C=C2)C2=CC3=C(N[C@H](C)C4=CC=CC=C4)N=CN=C3N2)CC1 CCN1CCN(CC2=CC=C(C=C2)C2=CC3=C(N[C@H](C)C4=CC=CC=C4)N=CN=C3N2)CC1 is A 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine which adopts an R-configuration. It is a potent inhibitor of human EGFR, VEGFR and HER2 receptor tyrosine kinases and exhibits anticancer and antiangiogenic activity. It has the role of antineoplastic agent . It has the role of trypanocidal drug . It has the role of angiogenesis inhibitor . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of apoptosis inducer . It has the role of epidermal growth factor receptor antagonist . It is also related to or classified as 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine  .
The molecule OC[C@H](COP([O-])(=O)OC[C@@H](CO)OC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O OC[C@H](COP([O-])(=O)OC[C@@H](CO)OC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O is A 2-acylglycerophospho-(2'-acylglycerol)(1-) obtained by deprotonation of the phosphate OH group of (R,R)-bis-(2-oleoylglycero)-1-phosphate; major species at pH 7.3. It is also related to or classified as 2-acylglycerophospho-(2'-acylglycerol)(1-)  .
The molecule C1(=C(Cl)C=CC=C1)[C@H](CNC(C)C)O C1(=C(Cl)C=CC=C1)[C@H](CNC(C)C)O is A 1-(2-chlorophenyl)-2-isopropylaminoethanol that has (R)-configuration. It is also related to or classified as 1-(2-chlorophenyl)-2-isopropylaminoethanol  .
The molecule CC(=O)OC1=CC2=C(S1)CCN(C2)[C@H](C3=CC=CC=C3F)C(=O)C4CC4.Cl is a hydrochloride obtained by reaction of (R)-prasugrel with one equivalent of hydrochloric acid (the racemic salt is a cardiovascular drug). It contains a (R)-prasugrel(1+). It is an enantiomer of a (S)-prasugrel hydrochloride.
The molecule [H][C@@]12CCC3=C(C=C(O)C=C3)[C@@]1([H])OCCN2CCC [H][C@@]12CCC3=C(C=C(O)C=C3)[C@@]1([H])OCCN2CCC is an organic heterotricyclic compound that is (4aR,10bR)-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine substituted by propyl and hydroxy groups at positions 4 and 9, respectively. It is a potent dopamine D2-receptor agonist and its hydrochloride salt was under clinical development by Merck & Co as a potential antiparkinsonian agent (now discontinued). 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 phenols  . It is also related to or classified as organic heterotricyclic compound , tertiary amino compound .
The molecule CCCCCCCCCCCCC\C=C\[C@H](O)[C@H](N)CO CCCCCCCCCCCCC\C=C\[C@H](O)[C@H](N)CO is A (2R,3S)-2-aminooctadec-4-ene-1,3-diol in which the double bond has E geochemistry. It is also related to or classified as (2R,3S)-2-aminooctadec-4-ene-1,3-diol  .
The molecule CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F is A pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration. It has the role of serotonergic agonist . It is also related to or classified as organofluorine compound  . It is also related to or classified as N-arylpiperazine , pyrroloquinoxaline .
The molecule C1C[C@]2([C@]([C@]([C@H]1O)(C)C=O)(CC[C@@]3([C@@]2(CC=C4[C@]3(CC[C@@]5([C@]4(CC(CC5)(C)C)[H])C(=O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)[H])C)[H])C C1C[C@]2([C@]([C@]([C@H]1O)(C)C=O)(CC[C@@]3([C@@]2(CC=C4[C@]3(CC[C@@]5([C@]4(CC(CC5)(C)C)[H])C(=O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)[H])C)[H])C is gypsogenin 28-beta-D-glucoside. Its functional parent is gypsogenin . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule C[C@@]12CC[C@@]3(C(=C1CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C is a pentacyclic triterpenoid that is oleanane which has a double bond between positions 13 and 18, and in which the hydrogen at the 3beta position is replaced by a hydroxy group. It is a pentacyclic triterpenoid and a secondary alcohol. It derives from a hydride of an oleanane.
The molecule [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(=O)CO)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(=O)CO)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)[C@H](O)CO is A nucleotide-sugar oxoanion arising from deprotonation of the carboxy and phosphate functions of CMP-N-glycoloyl-beta-neuraminic acid; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule O=C1N(C=CC(=N1)N)[C@]2(O[C@H](OC2)CO)[H] O=C1N(C=CC(=N1)N)[C@]2(O[C@H](OC2)CO)[H] is troxacitabine. It is also related to or classified as nucleobase-containing molecular entity , carbohydrate derivative .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@H]([C@H]3O)O)OC4[C@H](O[C@H]([C@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O is a heteroglycan consisting of beta-(1->4)-linked D-glucose (G) and D-mannose (M) in a proportion of 5:8. The basic polymeric repeating unit has the pattern: GGMMGMMMMMGGM, with branching through beta-(1->3)- and beta-(1->6)-glucosyl linkages. Acetate groups are present on C-6 every 9-19 units of the main chain. It has a role as a nutraceutical.
The molecule Cl.CN(C)CCN(Cc1cccs1)c1ccccn1 Cl.CN(C)CCN(Cc1cccs1)c1ccccn1 is A hydrochloride that is the monohydrochloride salt of methapyrilene. It has the role of sedative . It has the role of H1-receptor antagonist . It has the role of anti-allergic agent . It has the role of carcinogenic agent . Its functional parent is methapyrilene . It is also related to or classified as hydrochloride .
The molecule C=1C=C(C=CC1C(C(=O)[O-])C)CC(C(=O)[O-])C C=1C=C(C=CC1C(C(=O)[O-])C)CC(C(=O)[O-])C is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of carboxyibuprofen. It has the role of drug metabolite . It is also related to or classified as dicarboxylic acid dianion  .
The molecule [H+].[H+].[H+].[H+].[O-]C(=O)\C=C/C([O-])=O.[O-]C(=O)\C=C/C([O-])=O.CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F [H+].[H+].[H+].[H+].[O-]C(=O)\C=C/C([O-])=O.[O-]C(=O)\C=C/C([O-])=O.CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F is A maleate salt that is the dimaleate salt of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration. It has the role of serotonergic agonist . It has the role of prodrug . It is also related to or classified as maleate salt .
The molecule C(C=C)N1C(=O)C(NC1=S)CC(C)C C(C=C)N1C(=O)C(NC1=S)CC(C)C is albutoin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)CCCCCCCCCCCC(=O)CC(=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 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 3-oxoisoheptadecanoyl-CoA. It is an 11,12-saturated fatty acyl-CoA(4-) and a long-chain 3-oxo-fatty acyl-CoA(4-). It is a conjugate base of a 3-oxoisoheptadecanoyl-CoA.
The molecule C1C2CC3C4CC5CC(C14)C(C2)C3C5 C1C2CC3C4CC5CC(C14)C(C2)C3C5 is diamantane.  It is also related to or classified as polycyclic alkane  . It is also related to or classified as polycyclic cage .
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](O)[C@H](O[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]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]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](O)[C@H](O[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]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]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched ten-membered mannooligosaccharide derivative consisting of 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=C(O)/C=C/C=C/[C@H]1C(=C[C@@H](O)C2[C@@H]1[C@@H](C[C@@H](C2)CO)C)C O=C(O)/C=C/C=C/[C@H]1C(=C[C@@H](O)C2[C@@H]1[C@@H](C[C@@H](C2)CO)C)C is Tanzawaic acid R. It is also related to or classified as medium-chain fatty acid  .
The molecule O1C(C(OC)C(=O)C2=C1C=C(O)C(OC)=C2O)C3=CC(O)=C(OC)C=C3 O1C(C(OC)C(=O)C2=C1C=C(O)C(OC)=C2O)C3=CC(O)=C(OC)C=C3 is 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C=1C=C(C=CC1C(C(=O)O)C)CC(C(=O)O)C C=1C=C(C=CC1C(C(=O)O)C)CC(C(=O)O)C is A dicarboxylic acid that is ibuprofen in which one of the methyl groups in the isobutyl portion has been converted to the corresponding carboxylic acid. It has the role of drug metabolite . Its functional parent is ibuprofen . It is a conjugate acid of carboxyibuprofen anion . It is a conjugate acid of carboxyibuprofen(2-) . It is also related to or classified as dicarboxylic acid .
The molecule C(N1C(C2=C3C(C1=O)=CC=CC3=CC=C2)=O)CCSC4=C(C(O)=O)C=CC=C4 C(N1C(C2=C3C(C1=O)=CC=CC3=CC=C2)=O)CCSC4=C(C(O)=O)C=CC=C4 is A benzoisoquinoline that is 1H-benzo[de]isoquinoline-1,3(2H)-dione in which the hydrogen attached to the nitrogen has been replaced by a 3-[(2-carboxyphenyl)thio]propyl group. It is a selective LPA2 receptor non-lipid agonist. It has the role of apoptosis inhibitor . It has the role of G-protein-coupled receptor agonist . It is also related to or classified as benzoic acids , aryl sulfide , benzoisoquinoline .
The molecule O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O is the alpha-anomer of D-galacturonic acid. It is a conjugate acid of alpha-D-galacturonate . It is also related to or classified as D-galactopyranuronic acid  .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N is a dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of L-phenylalanine. It derives from a L-glutamine and a L-phenylalanine.
The molecule Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 is A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. It has the role of metabolite . It has the role of serotonergic antagonist . It has the role of delta-opioid receptor agonist .  It is also related to or classified as organochlorine compound  . It is also related to or classified as piperazines , dibenzodiazepine .
The molecule COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O is A member of the xanthone family that is bellidin substituted with a methyl group at O-3.  A natural product found  particularly in Swertia chirata and Gentianella campestris. It has the role of metabolite . It has the role of hypoglycemic agent . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is bellidin . It is also related to or classified as polyphenol , xanthones .
The molecule C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O is flavone substituted with hydroxy groups at C-4', -5, -6 and -7. It has a role as a metabolite. It derives from an apigenin. It is a conjugate acid of a scutellarein(1-).
The molecule [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C is A 20-oxo steroid that is pregnenolone carrying an additional hydroxy substituent at the 7beta-position. It has the role of animal metabolite . It has the role of fungal xenobiotic metabolite . Its functional parent is pregnenolone . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 7beta-hydroxy steroid  .  It is also related to or classified as C21-steroid  . It is also related to or classified as 20-oxo steroid .
The molecule C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl is an aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a drug allergen. It is an aromatic ether, a monocarboxylic acid and a member of monochlorobenzenes.
The molecule C(CCCCCCC/C=C\CCCCCCCC)(OC[C@@H](COP(O)(=S)O)OC)=O C(CCCCCCC/C=C\CCCCCCCC)(OC[C@@H](COP(O)(=S)O)OC)=O is A glycerophospholipid obtained by formal condensation of the carboxy group of oleic acid with the primary hydroxy group of (2S)-2-methylglycero-3-phosphothionate. It has the role of lysophosphatidic acid receptor 3 agonist . Its functional parent is oleic acid . It is also related to or classified as organic thiophosphate , glycerophospholipid , ether lipid .
The molecule [H][C@@]12CCC3=C(C=C(O)C=C3)[C@@]1([H])OCC[NH+]2CCC [H][C@@]12CCC3=C(C=C(O)C=C3)[C@@]1([H])OCC[NH+]2CCC is A tertiary ammonium ion that is the conjugate acid of naxagolide arising from the protonation of the tertiary amino group. Major microspecies at pH 7.3. It is a conjugate acid of naxagolide . It is also related to or classified as tertiary ammonium ion  .
The molecule O(C(C)(C)C)C1=CC=C(C=C1)NC(C)=O O(C(C)(C)C)C1=CC=C(C=C1)NC(C)=O is butacetin. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule C/C=C\\1/CN2[C@H]3C[C@@H]1[C@@H]([C@@H]2CC4=C3NC5=CC=CC=C45)C=O is an indole alkaloid that is vellosimine in which the carbon bearing the aldehyde function has been epimerised. It has a role as a plant metabolite. It is an aldehyde, an indole alkaloid and an organic heteropentacyclic compound. It derives from a hydride of a sarpagan.
The molecule C1[C@H]([C@H]([C@H](OC(/C=C/C2=CC=C(C(=C2)O)O)=O)C[C@]1(O)C(=O)[O-])O)OC(/C=C/C3=CC(=C(C=C3)O)O)=O C1[C@H]([C@H]([C@H](OC(/C=C/C2=CC=C(C(=C2)O)O)=O)C[C@]1(O)C(=O)[O-])O)OC(/C=C/C3=CC(=C(C=C3)O)O)=O is major species at pH 7.3. It is also related to or classified as cyclitol carboxylic acid anion .
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]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]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched ten-membered mannooligosaccharide derivative consisting of 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 glucosamine oligosaccharide , mannooligosaccharide derivative , N-glycan derivative .
The molecule O[C@@H]1[C@]2([C@]([C@]3([C@](C1)(/C(/CC3)=C\CO)C)[H])(CCC=4[C@@]2(CCC(=O)C4)C)[H])[H] O[C@@H]1[C@]2([C@]([C@]3([C@](C1)(/C(/CC3)=C\CO)C)[H])(CCC=4[C@@]2(CCC(=O)C4)C)[H])[H] is Diendiol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C[C@@H](CC[C@H](N)C(O)=O)NC(N)=[NH2+] C[C@@H](CC[C@H](N)C(O)=O)NC(N)=[NH2+] is the cation obtained by protonation of the imine nitrogen of (5S)-5-methyl-L-arginine. It is a conjugate acid of (5S)-5-methyl-L-arginine . It is also related to or classified as guanidinium ion  .