anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1(=CC(=C(O)C=C1)OC)[C@H](C[NH2+]C)O C1(=CC(=C(O)C=C1)OC)[C@H](C[NH2+]C)O is conjugate acid of L-metanephrine (N-methyl-L-normetanephrine); major microspecies at pH 7.3. It is a conjugate acid of L-Metanephrine . It is also related to or classified as methoxybenzenes .
The molecule CC(C(CC)C(O)=O)O CC(C(CC)C(O)=O)O is A 3-hydroxy monocarboxylic acid that is butyric acid substituted at positions 2 and 3 by ethyl and hydroxy groups respectively. It is also related to or classified as secondary alcohol  . It is also related to or classified as 3-hydroxy monocarboxylic acid .
The molecule C=N is an aldimine and a one-carbon compound. It derives from a formaldehyde. It derives from a hydride of a methane.
The molecule CC(=[NH2+])NCCCC[C@H]([NH3+])C(O)=O CC(=[NH2+])NCCCC[C@H]([NH3+])C(O)=O is an alpha-amino-acid cation obtained by protonation of the alpha-amino and imine functions of N(6)-acetimidoyl-L-lysine. It is a conjugate acid of N(6)-acetimidoyl-L-lysine . It is also related to or classified as alpha-amino-acid cation , carboxamidinium ion .
The molecule C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C([C@@H]4C[C@H]([C@]3(C1=CC(=O)[C@H]2C5=COC=C5)C)O)(C)C)C is a tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by a oxo groups at positions 3 and 16, a hydroxy group at position 7 and a furan-3-yl group at position 17. It has been isolated from Azadirachta indica. It has a role as a plant metabolite. It is a cyclic terpene ketone, a member of furans, a tetracyclic triterpenoid and a limonoid.
The molecule C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2O)O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OCCCCCC(=O)OC)C)NC=O)O)C)NC=O)O)O)NC=O is a glycoside that consists of three N-formyl-alpha-D-perosamine residues linked sequentially (1->3) and (1->2) and linked at the reducing end glycosidically to a 5-(methoxycarbonyl)pentyl group. It is a glycoside, a methyl ester and a trisaccharide derivative. It derives from an alpha-D-Rhap4NFo-(1->3)-alpha-D-Rhap4NFo-(1->2)-alpha-D-Rhap4NFo.
The molecule O=C(O)[C@@H]1N=C1C O=C(O)[C@@H]1N=C1C is Azirinomycin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCC(C(=O)O)O is a monohydroxy fatty acid with a lauric acid core substituted at position 2 by a hydroxy group, which confers chirality; a component of cellular lipids in Pseudomonas strains. It is a 2-hydroxy monocarboxylic acid and a 2-hydroxy fatty acid. It derives from a dodecanoic acid. It is a conjugate acid of a 2-hydroxydodecanoate.
The molecule CCCCCCCCCCCCC(C(=O)[O-])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 2-carboxyacyl CoA(5-) arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 2-carboxymyristoyl-CoA; major species at pH 7.3. It is a conjugate base of a 2-carboxymyristoyl-CoA.
The molecule OC(=O)c1cc(O)c2ccc(Cl)cc2n1 OC(=O)c1cc(O)c2ccc(Cl)cc2n1 is A quinolinemonocarboxylic acid that is quinaldic acid which is substituted by a hydroxy group at position 4 and by a chlorine at position 7. It is a potent NMDA glutamate receptor antagonist which antagonizes the strychnine-insensitive glycine site of the NMDA receptor. It also prevents neurodegeneration produced by quinolinic acid. It has the role of NMDA receptor antagonist . It has the role of neuroprotective agent .  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolinemonocarboxylic acid .
The molecule CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)[C@H]4C(=O)O[C@@H]([C@H]([C@]4(O3)O)C)C)C)Cl is an azaphilone isolated from Chaetomium globosum and has been shown to exhibit inhibitory activity against the brine shrimp (Artemia salina) and Mucor miehei. It has a role as a Chaetomium metabolite. It is an azaphilone, an organic heterotetracyclic compound, a delta-lactone, an organochlorine compound, an enone and a tertiary alcohol.
The molecule O=C(C(CC)C(O)=O)CC O=C(C(CC)C(O)=O)CC is A 3-oxo monocarboxylic acid that is pentanoic acid substituted at positions 2 and 3 by ethyl and oxo substituents respectively. It is also related to or classified as 3-oxo monocarboxylic acid .
The molecule CCCCC(=O)C1CCCC=C1C(=O)O is a cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted by a pentanoyl group at position 6. It is an oxo carboxylic acid, an alpha,beta-unsaturated monocarboxylic acid, a ketone and a cyclohexenecarboxylic acid.
The molecule N=1C2=C(C=3N(C1N)N=C(N3)C=4OC=CC4)C=C(C=C2)Cl N=1C2=C(C=3N(C1N)N=C(N3)C=4OC=CC4)C=C(C=C2)Cl is A member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors. It has the role of central nervous system stimulant . It has the role of antineoplastic agent . It has the role of adenosine A2A receptor antagonist . It has the role of adenosine A1 receptor antagonist .    It is also related to or classified as organochlorine compound  . It is also related to or classified as triazoloquinazoline , furans , aromatic amine , primary amino compound , biaryl .
The molecule C(CCNC[C@@H](CCN)O)C[C@@H](C(=O)[O-])N is a L-alpha-amino acid anion obtained by the deprotonation of the carboxy group of hypusine. It is a conjugate base of a hypusine.
The molecule C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N is a purine ribonucleoside 5'-monophosphate that is the 2-oxo derivative of AMP. It derives from an adenosine 5'-monophosphate. It is a conjugate acid of a 2-oxo-AMP(2-). It is a tautomer of a 2-hydroxy-AMP.
The molecule Cl.Cl.CC(=N)NCCCC[C@H](N)C(O)=O Cl.Cl.CC(=N)NCCCC[C@H](N)C(O)=O is A hydrochloride salt prepared from N(6)-acetimidoyl-L-lysine and two equivalents of hydrogen chloride. A selective inhibitor of inducible nitric oxide synthase. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor . It is also related to or classified as hydrochloride .
The molecule CCCCC[C@@H]([C@@H](/C=C/C=C/C=C\\C=C\\[C@H](CCCC(=O)[O-])O)O)O is a hydroxy fatty acid anion obtained by the deprotonation of the carboxy group of lipoxin B4: major species at pH 7.3. It is a hydroxy fatty acid anion and a lipoxin anion. It is a conjugate base of a lipoxin B4.
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC([C@@H](CO)O)[C@H](CO)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O is a glycoside consisting of D-ribitol having a alpha-D-glucosyl-(1->3)-alpha-D-glucosyl-(1->3)-alpha-L-rhamnosyl moiety attached at the 3-position. It has a role as a hapten. It is a glycoside and a tetrasaccharide. It derives from a ribitol.
The molecule CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)N is a tripeptide composed of L-leucine, L-aspartic acid and glycine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-leucine, a L-aspartic acid and a glycine.
The molecule CC1=C(C=CC=C1N=C=O)N=C=O is a toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring. It has a role as a hapten and an allergen.
The molecule [O-][N+]([O-])=O.OCC[NH+](CCO)CCO [O-][N+]([O-])=O.OCC[NH+](CCO)CCO is an organoammonium salt resulting from the mixing of equimolar amounts of nitric acid and triethanolamine. It has the role of protic solvent . It is also related to or classified as organoammonium salt , ionic liquid .
The molecule CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)SC#N)C(=O)O is a cationic fluorescent dye derived from 9-phenylxanthene. It has a role as a fluorochrome. It is a xanthene dye and an organic cation.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)[O-])O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O)NC(=O)C)O)O)CO)O)O is a carbohydrate acid derivative anion obtained by deprotonation of the carboxy groups of N-acetyl-beta-D-glucosaminyl-(1->4)-[hyaluronic acid]; major species at pH 7.3. It is a carbohydrate acid derivative anion and a polyanionic polymer. It derives from a hyaluronate.
The molecule C1=CC(=CC(=C1)O)[N+](=O)[O-] is a member of the class of 3-nitrophenols that is phenol in which one of the hydrogens that is meta to the hydroxy group has been replaced by a nitro group.
The molecule [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(O)=O [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(O)=O is A pentacyclic triterpenoid that is 24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid bearing an oxo substituent at position 2, a hydroxy substituent at position 3 and two methyl groups at positions 9 and 13. An antioxidant and anti-inflammatory agent. Potently inhibits lipid peroxidation in mitochondria and inhibits TNF-alpha-induced NFkappaB activation. Also shown to inhibit topoisomerase II activity in vitro (IC50 = 7.41 muM). It has the role of antioxidant . It has the role of metabolite . It has the role of anti-inflammatory drug . It has the role of antineoplastic agent . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It has the role of Hsp90 inhibitor . It is also related to or classified as monocarboxylic acid , pentacyclic triterpenoid .
The molecule CC(=CCC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)C is trianion of geranyl diphosphate arising from deprotonation of the three OH groups of the diphosphate; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a geranyl diphosphate.
The molecule CCN(CC)C1=CC2=C(C=C1)[C-]=C(C(=O)O2)C3=NC4=CC=CC=C4S3.CCN(CC)C1=CC2=C(C=C1)[C-]=C(C(=O)O2)C3=NC4=CC=CC=C4S3.C/C(=C/C(=O)C)/O.[Ir] is an iridium coordination entity composed of iridium(III) coordinated to an acetoacetonate and two 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2H-chromen-2-one units. It has a role as a fluorochrome. It is an organoiridium compound and an iridium coordination entity.
The molecule OC(C1CCCC1)C OC(C1CCCC1)C is A secondary alcohol that is ethanol in which one of the hydrogens at position 1 has been replaced by a cyclopentyl group.  It is also related to or classified as secondary alcohol  . It is also related to or classified as cyclopentanes .
The molecule C1=CC=C(C=C1)C2=CC=C(C=C2)NO is a N-substituted amine that is 4-aminobiphenyl substituted by a hydroxy group at the nitrogen atom. It has a role as a human xenobiotic metabolite and a carcinogenic agent. It is a N-substituted amine and an aminobiphenyl. It derives from a biphenyl-4-amine.
The molecule CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1 CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1 is A benzamide obtained by formal condensation of the carboxy group of 2,6-dimethoxybenzoic acid and the amino group of 3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine. It has the role of herbicide . It has the role of cellulose synthesis inhibitor .  It is also related to or classified as isoxazoles  . It is also related to or classified as benzamides .
The molecule [1HH] is the stable isotope of hydrogen with relative atomic mass 1.007825 and a natural abundance of 99.9885 atom percent (from Greek pirhoomegatauomicronsigma, first). It contains a proton.
The molecule CC(C)C/C(/C(=O)O)=N\O CC(C)C/C(/C(=O)O)=N\O is A monocarboxylic acid that is 4-methylpentanoic acid in which both methylene hydrogens at positions 2 have been replaced by a hydroxyimino (the E-geoisomer). Its functional parent is isocaproic acid . It is also related to or classified as ketoxime  . It is also related to or classified as monocarboxylic acid .
The molecule C1=CC=C(C=C1)C(COCCCCCCNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)(F)F is a quinolone that is 8-hydroxyquinolin-2(1H)-one which carries a 2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl group at position 5. It is a long acting beta2-adrenoceptor agonist currently in development for the treatment of chronic obstructive pulmonary disease (COPD) and asthma. It has a role as a beta-adrenergic agonist. It is a quinolone, a secondary alcohol, a monohydroxyquinoline, a secondary amino compound, an ether and an organofluorine compound.
The molecule CC(C)CCC(O)=O CC(C)CCC(O)=O is A methyl-branched fatty acid that is pentanoic acid with a methyl group substituent at position 4. It is a metabolite of 20 alpha-hydroxycholesterol. It has the role of human metabolite . It is a conjugate acid of isocaproate .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .
The molecule C1=C[C@@H]([C@@H](C(=C1)C2=CC=C(C=C2)Cl)O)O is a cyclohexenediol that has cis hydroxy groups at C-1 and C-2, double bonds at C-3 and C-5, and a 4-chlorophenyl substituent at C-3, the configurations at C-1 and C-2 being S and R respectively. It is a cyclohexadienediol and an organochlorine compound. It derives from a (1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol and a 4'-chlorobiphenyl-2,3-diol.
The molecule C(C(=O)C(=O)O)Br is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is replaced by bromine. Synthetic brominated derivative and structural analog of pyruvic acid. Highly reactive alkylating agent. Anti-cancer drug It has a role as an alkylating agent and an antineoplastic agent. It is a 2-oxo monocarboxylic acid and an organobromine compound. It derives from a pyruvic acid. It is a conjugate acid of a 3-bromopyruvate.
The molecule Nc1nc(Cl)nc(Nc2cccc(c2)S([O-])(=O)=O)n1 Nc1nc(Cl)nc(Nc2cccc(c2)S([O-])(=O)=O)n1 is the arenesulfonate formed from 2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine by loss of a proton from the 3-sulfoanilino moiety. It is also related to or classified as arenesulfonate oxoanion , diamino-1,3,5-triazine .
The molecule COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)[C@H]4[C@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)OC is a biflavonoid that consists of two units of 5,7-dihydroxy-4'-methoxyflavanone attached at the C-3 position (the meso-isomer). Isolated from Stellera chamaejasme, it exhibits antimitotic and antifungal activity. It has a role as an antifungal agent, an antimitotic and a plant metabolite. It is a biflavonoid, a hydroxyflavanone, a ring assembly and a member of 4'-methoxyflavanones.
The molecule C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+] is the anhydrous form of the tripotassium salt of citric acid. It has a role as a diuretic. It contains a citrate(3-).
The molecule CN\\1C2=CC=CC=C2O/C1=C\\C=C\\C3=CC=[N+](C=C3)CCC[N+](C)(C)C is an unsymmetrical C3 cyanine dye having 1,3-benzoxazol-2-yl and pyridinium-4-yl substituents at each end. It has a role as a fluorochrome. It is a pyridinium ion, a benzoxazolium ion, a quaternary ammonium ion and a cyanine dye.
The molecule [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C(O)=O [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C(O)=O is A penicillin in which the substituent at position 6 of the penam ring is a (2-ethoxy-1-naphthoyl)amino group. It has the role of antibacterial drug . It is a conjugate acid of nafcillin(1-) .  It is also related to or classified as penicillin  . It is also related to or classified as penicillin allergen .
The molecule C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2[C@@](CC3)(C)O)C(C)C is a tertiary alcohol resulting from the formal addition of water to the double bond of alpha-cubebene. It is a sesquiterpenoid, a tertiary alcohol and a carbotricyclic compound.
The molecule [H][C@]1(CC[C@](C)(O1)[C@@]1([H])CC[C@](C)(O1)[C@@H](C)O)C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C\C[C@@H](C)C[C@@H](C)C(\O)=C\C(=O)[C@@H](C)C[C@@H](C)C[C@H](C)CCC(O)=O [H][C@]1(CC[C@](C)(O1)[C@@]1([H])CC[C@](C)(O1)[C@@H](C)O)C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C\C[C@@H](C)C[C@@H](C)C(\O)=C\C(=O)[C@@H](C)C[C@@H](C)C[C@H](C)CCC(O)=O is A very long-chain fatty acid that is docosa-10,16-dienoic acid which is substituted by methyl groups at positions 4, 6, 8, 12, 14, 18 and 20, by hydroxy groups at positions 11, 19 and 21, and by a (2',5-dimethyloctahydro-2,2'-bifuran-5-yl)ethanol group at position 21. An ionophore produced by Streptomyces conglobatus, it is used in research to raise the intracellular level of Ca(2+) and as a research tool to understand Ca(2+) transport across biological membranes. It has the role of calcium ionophore . It has the role of metabolite .  It is also related to or classified as very long-chain fatty acid  . It is also related to or classified as enol  . It is also related to or classified as polyunsaturated fatty acid , cyclic ether .
The molecule CCC(C)CC(C)/C=C(\\C)/C=C/C(=O)C1=C2C3=COC(=CC3=CC(=O)[C@]2(OC1=O)C)[C@@H]4[C@H](C[C@H](CC4=O)O)C is an azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a 4-hydroxy-2-methyl-6-oxocyclohexyl group at position 3, a methyl group at position 6a, and a 4,6,8-trimethyldeca-2,4-dienoyl group at position 9. Isolated from Chaetomium longirostre, it exhibits cytotoxic activities. It has a role as a Chaetomium metabolite and an antineoplastic agent. It is a gamma-lactone, an azaphilone, an organic heterotricyclic compound and an enone.
The molecule CCC(C)CO CCC(C)CO is A primary alcohol that is  isopentane substituted by a hydroxy group at position 1. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as alkyl alcohol .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCCCCCC(=O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (16R)-16-hydroxymargaric acid 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 monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from a (16R)-16-hydroxymargaric acid. It is a conjugate acid of an ascr#30(1-).
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O is a C27, very long straight-chain, saturated fatty acid. It has a role as a plant metabolite. It is a very long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a heptacosanoate.
The molecule C[C@@H](O[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@H]1NC(C)=O)C(O)=O C[C@@H](O[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@H]1NC(C)=O)C(O)=O is an anhydrohexose derivative that is the 1,6-anhydro-derivative of N-acetyl-beta-muramic acid. Its functional parent is N-acetyl-beta-D-muramic acid . It is a conjugate acid of 1,6-anhydro-N-acetyl-beta-muramate . It is also related to or classified as anhydrohexose derivative .
The molecule Nc1nc(Cl)nc(Nc2cccc(c2)S(O)(=O)=O)n1 Nc1nc(Cl)nc(Nc2cccc(c2)S(O)(=O)=O)n1 is A diamino-1,3,5-triazine with the amino groups situated at C-2 and C-4 and with a chloro group at C-6; the amino group at C-4 is substituted with a 2-sulfophenyl group. It is a conjugate acid of 2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine . It is also related to or classified as arenesulfonic acid , diamino-1,3,5-triazine .
The molecule CCCCC/C=C\\C/C=C\\CCCCCC(=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 (9Z,12Z)-3-oxolinoleoyl-CoA. It is a conjugate base of a (9Z,12Z)-3-oxolinoleoyl-CoA.
The molecule C1C=CC2C1C(NC3=C2C=C(C=C3F)F)C4=CN=CC=C4 is an organic heterotricyclic compound that is 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline which is substituted by a pyridin-3-yl at position 4 and by fluorines at positions 6 and 8. It is an organic heterotricyclic compound, a member of pyridines, an organofluorine compound and a secondary amino compound.
The molecule CCC(C)C CCC(C)C is an alkane that is butane substituted by a methyl group at position 2. It has the role of refrigerant . It is also related to or classified as alkane  .
The molecule C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O)O)O is a cinnamate ester obtained by the formal condensation of trans-4-coumaric acid with 2-(3,4-dihydroxyphenyl)ethyl beta-D-glucopyranoside. It is a phenolic glycoside derivative obtained from the aerial parts of Globularia alypum and exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a cinnamate ester, a polyphenol, a beta-D-glucoside and a member of catechols. It derives from a trans-4-coumaric acid.
The molecule C[C@](CO)(C(=O)[O-])[NH3+] is an amino acid zwitterion obtained from the transfer of a proton from the carboxy group to the amino group of 2-methyl-L-serine. Major species at pH 7.3. It is a tautomer of a 2-methyl-L-serine.
The molecule Cl[As](Cl)Cl Cl[As](Cl)Cl is A arsenic molecular entity that consists of a single arsenic atom bearing three chloro substituents. It has the role of genotoxin . It is also related to or classified as arsenic molecular entity , pnictogen halide .
The molecule C/C/1=C\\CC[C@@]2([C@@H](O2)C[C@H]3[C@H]([C@@H](/C(=C/CC1)/C)O)OC(=O)C3=C)C is a cembrane diterpenoid isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a gamma-lactone, a cembrane diterpenoid, an epoxide, a macrocycle and a secondary alcohol.
The molecule C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)O)O is a 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'. It has a role as a metabolite, an antineoplastic agent and an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor. It derives from a daidzein.
The molecule C=1(C(=C(N=C(C1C#N)N)SCC(=O)N)C#N)C2=CC=C(C=C2)OCC3CC3 C=1(C(=C(N=C(C1C#N)N)SCC(=O)N)C#N)C2=CC=C(C=C2)OCC3CC3 is A member of the class of cyanopyridines that is 6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-sulfanylpyridine in which the hydroxy and sulfanyl hydrogens are replaced by cyclopropylmethyl and carboxamidomethyl groups respectively. It has the role of adenosine A2B receptor agonist . It has the role of anti-inflammatory agent . It has the role of cardioprotective agent .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as cyanopyridine , aromatic ether , aryl sulfide , aminopyridine , cyclopropanes .
The molecule CCCOP(=O)(OCCC)OC1=CC=C(C=C1)SC is an organophosphate insecticide and a dialkyl aryl phosphate. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It derives from a 4-(methylsulfanyl)phenol.
The molecule C[N@+]1(CCC2=CC(=C(C(=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N@+]4(CCC5=CC(=C(C(=C5[C@@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C is the (1R,1'S,2S,2'R) isomer of 2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl)]bis[6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium]. It is the meso-isomer which has a trans configuration at the 1 and 2 positions of the tetrahydroisoquinolinium rings. It is a quaternary ammonium ion, a diester and a succinate ester.
The molecule [O-]S(=O)(=O)c1ccccc1\N=N\c1ccccc1S([O-])(=O)=O [O-]S(=O)(=O)c1ccccc1\N=N\c1ccccc1S([O-])(=O)=O is the arenesulfonate that is the dianion formed by proton loss from each of the sulfo groups in 2,2'-disulfoazobenzene; major microspecies at pH 7.3. It is also related to or classified as arenesulfonate oxoanion .
The molecule C/C=C(\\C)/C(=O)NCC(C1=CC(=O)C2=NC=CC3=C2C1=NC4=CC=CC=C34)OC is an alkaloid that is an enamide obtained by the formal condensation of tiglic acid with 6-(2-amino-1-methoxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells It has a role as a metabolite and an antineoplastic agent. It is an alkaloid, an enamide, an enone, an organic heterotetracyclic compound, an ether and a secondary carboxamide. It derives from a tiglic acid.