anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CO[C@@H]1CO[C@@H](Oc2c3COC(=O)c3c(-c3ccc4OCOc4c3)c3cc(OC)c(OC)cc23)[C@H](O)[C@H]1OC CO[C@@H]1CO[C@@H](Oc2c3COC(=O)c3c(-c3ccc4OCOc4c3)c3cc(OC)c(OC)cc23)[C@H](O)[C@H]1OC is A member of the class of cleistanthins that is the 4-O-3,4-di-O-methyl-beta-D-xylopyranoside of 1,3-dihydronaphtho[2,3-c]furan-4-ol which is substituted by an oxo group at position 1, methoxy groups at positions 6 and 7, and a 1,3-benzodioxol-5-yl group at position 9. It is one of the toxic principles in Cleistanthus collinus. It has the role of diuretic . It has the role of antihypertensive agent . It has the role of alpha-adrenergic antagonist . It is also related to or classified as xylose derivative , cleistanthins .
The molecule C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O is A nucleotide-sugar oxoanion resulting from the removal of both of the hydrogens from the diphosphate group of GDP-beta-L-fucose. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CCCCCC(C(/C=C/C(C/C=C\\C/C=C\\CCCC(=O)O)O)O)O is a trihydroxyicosatrienoic acid that is (5Z,8Z,12E)-icosatrienoic acid in which the three hydroxy groups are located at positions 11, 14 and 15. It has a role as a mouse metabolite. It is a trihydroxyicosatrienoic acid and a secondary allylic alcohol. It is a conjugate acid of an 11,14,15-trihydroxy-(5Z,8Z,12E)-icosatrienoate(1-).
The molecule [H][C@@]1(CCCCN1)C([O-])=O [H][C@@]1(CCCCN1)C([O-])=O is the D-enantiomer of pipecolate. It has the role of human metabolite . It is also related to or classified as pipecolate  .
The molecule ClC1=CC=C(CSCCNC(=O)C=2OC=CC2)C=C1 ClC1=CC=C(CSCCNC(=O)C=2OC=CC2)C=C1 is N-{2-[(4-chlorobenzyl)thio]ethyl}-2-furamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule C1[C@H]([C@@H]([C@@H](C=C1C(=O)[O-])O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O is a hydroxy monocarboxylic acid anion that is the conjugate base of 5-[(E)-caffeoyl]shikimic acid. Major structure at pH 7.3 It has a role as a plant metabolite. It is a cyclohexenecarboxylate and a hydroxy monocarboxylic acid anion. It is a conjugate base of a 5-[(E)-caffeoyl]shikimic acid.
The molecule C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C.OC([C@@H]([C@H](C(O)=O)O)O)=O.C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C.OC([C@@H]([C@H](C(O)=O)O)O)=O.C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C 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 the role of 5-hydroxytryptamine 2A receptor inverse agonist . It has the role of antipsychotic agent . It has the role of serotonergic antagonist . It is also related to or classified as tartrate salt .
The molecule O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3] is a hydrate resulting from the the formal combination of anhydrous aluminium sulfate with approximately 18 mol eq. of water. The commercial product usually contains 5-10% less water than theory. It is one of the commonest hydrates of aluminium sulfate. It is a hydrate and an aluminium sulfate. It contains an aluminium sulfate (anhydrous).
The molecule CCCCCCCCCCCC(=O)CC(=O)O is a C14, long-chain fatty acid carrying an oxo- group at position 3. It is a long-chain fatty acid and a 3-oxo fatty acid. It derives from a tetradecanoic acid.
The molecule O=C(NO)C1=CC=CC(=C1)C=2N=NN(C2)CSC=3C=CC=CC3 O=C(NO)C1=CC=CC(=C1)C=2N=NN(C2)CSC=3C=CC=CC3 is A member of the class of triazoles that is 1H-1,2,3-triazole substituted by (phenylsulfanyl)methyl and 3-(hydroxycarbamoyl)phenyl groups at positions 1 and 4, respectively. It is a potent and selective histone deacetylase 8 inhibitor. It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It is also related to or classified as organic molecular entity .
The molecule C1=CC=C(C(=C1)/C=C/C(=O)O)[O-] is a coumarate that is the conjugate base of 2-coumaric acid. It has a role as a plant metabolite. It is a conjugate base of a 2-coumaric acid.
The molecule S1C=2C(NC(C)C)=NC=NC2C(=C1)C S1C=2C(NC(C)C)=NC=NC2C(=C1)C is N4-isopropyl-7-methylthieno[3,2-d]pyrimidin-4-amine. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C[As+](C)(C)CCO is an arsonium ion that is choline in which the central nitrogen has been replaced by arsenic. It has a role as a marine metabolite, a xenobiotic and a human urinary metabolite. It is an arsonium ion and an organoarsenic compound.
The molecule OC(=O)[C@H]1CCCCN1 OC(=O)[C@H]1CCCCN1 is the D-enantiomer of pipecolic acid. It has the role of human metabolite . It is a conjugate acid of D-pipecolate . It is also related to or classified as pipecolic acid  .
The molecule O=[P]=O O=[P]=O is phosphorus dioxide. It is also related to or classified as inorganic radical , phosphorus oxide .
The molecule C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3 is a benzophenanthridine alkaloid that is sanguinarine bearing a methoxy substituent at position 10. It is a benzophenanthridine alkaloid and an organic cation. It derives from a hydride of a sanguinarine.
The molecule C(CCC/C=C\\C/C=C\\CCCCCO)CCCC(=O)[O-] is an omega-hydroxy fatty acid anion that is the conjugate base of 18-hydroxylinoleic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, a long-chain fatty acid anion and a polyunsaturated fatty acid anion. It is a conjugate base of a 18-hydroxylinoleic acid.
The molecule O=C(NC1=CC=C(C=C1)C#N)C O=C(NC1=CC=C(C=C1)C#N)C is N1-(4-cyanophenyl)acetamide. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-] is an arenesulfonate arising from deprotonation of the sulfo groups of 4,4'-bis({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)stilbene-2,2'-disulfonic acid. It is a conjugate base of a 4,4'-bis({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)stilbene-2,2'-disulfonic acid. It derives from a hydride of a stilbene.
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3)O)OC)C4=CC(=C(C(=C4)O)O)O)O)O)O is a monomethoxyflavone that is the 5-methyl ether derivative of myricitrin. Isolated from Rhododendron yedoense var poukhanense, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a glycosyloxyflavone, an alpha-L-rhamnoside, a monosaccharide derivative, a tetrahydroxyflavone and a monomethoxyflavone. It derives from a myricitrin.
The molecule CC(N)C(=O)c1ccccc1 CC(N)C(=O)c1ccccc1 is propiophenone substituted at the beta-carbon by an amino group. Its functional parent is propiophenone . It is also related to or classified as primary amino compound , aromatic ketone .
The molecule O(C(C)(C)C)C(=O)N1CC=CC1 O(C(C)(C)C)C(=O)N1CC=CC1 is N-BOC-3-Pyrroline. It is also related to or classified as pyrroline  . It is also related to or classified as carboxylic acid  .
The molecule CN1[C@@H]2CC[C@H]1CC(C2)O is a derivative of tropane having a hydroxy group at the 3-position. It has a role as a mouse metabolite. It is a conjugate base of a tropinium.
The molecule C1N(CCN(C1)C2=CC=C(C(NS(C3=CC=C(C(=C3)[N+](=O)[O-])NCC4CCOCC4)(=O)=O)=O)C(=C2)OC=5C=C6C(=NC5)NC=C6)CC=7CCC(CC7C=8C=CC(=CC8)Cl)(C)C C1N(CCN(C1)C2=CC=C(C(NS(C3=CC=C(C(=C3)[N+](=O)[O-])NCC4CCOCC4)(=O)=O)=O)C(=C2)OC=5C=C6C(=NC5)NC=C6)CC=7CCC(CC7C=8C=CC(=CC8)Cl)(C)C is A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion. It has the role of B-cell lymphoma 2 inhibitor . It has the role of antineoplastic agent . It has the role of apoptosis inducer .        It is also related to or classified as N-sulfonylcarboxamide  . It is also related to or classified as aromatic ether , C-nitro compound , pyrrolopyridine , N-alkylpiperazine , N-arylpiperazine , oxanes , monochlorobenzenes .
The molecule C([C@H]([C@@H](C(=O)O)N)O)F is a fluoroamino acid, a non-proteinogenic L-alpha-amino acid and a L-threonine derivative. It is a tautomer of a 4-fluoro-L-threonine zwitterion.
The molecule C(C=O)S(=O)[O-] is an organosulfinate oxoanion resulting from the deprotonation of the sulfino group of sulfinoacetaldehyde. The major species at pH 7.3. It is a conjugate base of a sulfinoacetaldehyde.
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N is a 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and palmitoyl respectively. It derives from an oleic acid and a hexadecanoic acid. It is a conjugate acid of a 1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-L-serine(1-).
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H](C(=C(O2)C(=O)O)O)O)OS(=O)(=O)O is an oligosaccharide sulfate that is 2-acetamido-2-deoxy-6-O-sulfo-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding 2-O-sulfo-alpha-L-threo-hex-4-enopyranuronoxyl derivative. It is an oligosaccharide sulfate, an amino disaccharide, a monocarboxylic acid, a member of acetamides and an enol.
The molecule ClC1=CC=C(NCCC(OC)=O)C=C1 ClC1=CC=C(NCCC(OC)=O)C=C1 is Methyl 3-(4-chloroanilino)propanoate. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O is a 1-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 1-acyl group is specified as stearoyl. It has a role as a human metabolite. It derives from an octadecanoic acid. It is a conjugate acid of a 1-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1-).
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-] is a steroid sulfate oxoanion obtained by deprotonation of the sulfo group of 17beta-estradiol 3-sulfate; major species at pH 7.3. It is a conjugate base of a 17beta-estradiol 3-sulfate.
The molecule CCCCCCCCCCC[C@@H](O)CC(O)=O CCCCCCCCCCC[C@@H](O)CC(O)=O is A 3-hydroxytetradecanoic acid that has R configuration at position 3. It plays an intermediate role in fatty acid biosynthesis. Its functional parent is tetradecanoic acid . It is a conjugate acid of (R)-3-hydroxytetradecanoate . It is also related to or classified as 3-hydroxytetradecanoic acid  . It is also related to or classified as (3R)-3-hydroxy fatty acid  .
The molecule [H]C(=C([H])CCCCCC)CCC([H])=C([H])CCCCCCCCCCCCC [H]C(=C([H])CCCCCC)CCC([H])=C([H])CCCCCCCCCCCCC is (7Z,11Z)-pentacosa-7,11-diene. It has the role of animal metabolite . It is also related to or classified as organic molecular entity .
The molecule CNC1=NC2=C(C(=O)N(C=CC2=N1)C)CC3=CC(=C(C(=C3)Br)OC)Br is an organic heterobicyclic compound, which is imidazo[4,5-d]azepin-5(6H)-one substituted by a 3,5-dibromo-4-methoxybenzyl group at position 4, a methyl group at position 6 and a methylamino group at position 2. It is an antimitotic alkaloid isolated from the marine sponge Pseudoceratina. It has a role as a metabolite and an antimitotic. It is an organobromine compound, an alkaloid, an organic heterobicyclic compound, an aromatic ether, a cyclic ketone, a tertiary amine and a secondary amino compound.
The molecule CC1=CC(=O)CC([C@]1(/C=C/[C@@H](C)O)O)(C)C is a (6S)-vomifoliol with a R configuration for the hydroxy group at position 9. It has a role as a phytotoxin and a metabolite. It is an enantiomer of a (6R,9S)-vomifoliol.
The molecule FC(F)(F)C1=NC(=C(C=C1)C#N)C FC(F)(F)C1=NC(=C(C=C1)C#N)C is 2-Methyl-6-(trifluoromethyl)nicotinonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule CC(C)C[C@H]1C(=O)N2[C@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)C(=O)C)O)C(=O)N1 is an organic heterotetracyclic compound that is 6,10b,11,11a-tetrahydro-H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-,4(3H,5aH)-dione substituted by an acetyl group at position 6, a hydroxy group at position 10b and a 2-methylpropyl group at position 3. It has been isolated from in Aspergillus species. It has a role as an Aspergillus metabolite. It is a dipeptide, an organic heterotetracyclic compound, a member of acetamides and a tertiary alcohol.
The molecule CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O is a 1-acyl-sn-glycerol 3-phosphate having lauroyl (dodecanoyl) as the 1-O-acyl group. It is a 1-acyl-sn-glycerol 3-phosphate and a dodecanoate ester. It is a conjugate acid of a 1-lauroyl-sn-glycerol 3-phosphate(2-).
The molecule C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-] is a monocarboxylic acid anion obtained by deprotonation of the carboxy group, both sulfate groups and sulfamic acid group of HP_dp02_0009. It is a monocarboxylic acid anion, an organic sulfamate oxoanion, an organosulfate oxoanion and a carbohydrate acid derivative anion. It is a conjugate base of a HP_dp02_0009.
The molecule CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C is a member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. It has a role as a vitamin, a cofactor, a plant metabolite and a human metabolite.
The molecule S1C2=C(N=CNC2=O)C(=C1)C S1C2=C(N=CNC2=O)C(=C1)C is 7-Methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CCCCCCCCCCCCCCCCCC(=O)NCC(=O)O is a fatty acid amide resulting from the formal condensation of the carboxy group of octadecanoic acid with the amino group of glycine. It has a role as a human metabolite. It is a N-acylglycine 18:0 and a fatty amide. It derives from an octadecanoic acid. It is a conjugate acid of a N-octadecanoylglycinate.
The molecule [209Po] [209Po] is the radioactive isotope of polonium with relative atomic mass 208.982404 and half-life of 102 years. It is also related to or classified as polonium atom  .
The molecule CC(=CCC1=C2C(=C(C(=C1O)O)O)OC3=CC4=C(CC(O4)C(=C)C)C(=C3C2=O)O)C is an organic heterotetracyclic compound that is 2,3-dihydro-5H-furo[3,2-b]xanthen-5-one substituted by hydroxy groups at positions 4, 7, 8 and 9, an isoprenyl group at position 6 and a prop-1-en-2-yl group at position 2. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line. It has a role as a metabolite and an antineoplastic agent. It is an organic heterotetracyclic compound, a cyclic ketone, a polyphenol and a cyclic ether.
The molecule CC(CCCCCCCCCC/C=C/C(=O)O)O is an (omega-1)-hydroxy fatty acid that is trans-2-pentadecenoic acid in which the 14-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a long-chain fatty acid, an alpha,beta-unsaturated monocarboxylic acid and a hydroxy monounsaturated fatty acid. It derives from a trans-2-pentadecenoic acid.
The molecule CC1=C(C=CC=C1Cl)[N+](=O)[O-] is a nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group. A low-melting (37 ℃) solid. It is a nitrotoluene, a member of monochlorobenzenes and a volatile organic compound.
The molecule COC1=CC=CC=C1OCC(COC(=O)N)O is a carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester. It is a carbamate ester, a secondary alcohol and an aromatic ether.
The molecule S(C=1N=CC=CC1C(O)=O)C S(C=1N=CC=CC1C(O)=O)C is 2-(Methylthio)nicotinic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule C12=C(C=C(C=C1)C(N3CC=4C(CC3)=C(C(=C(C4)Cl)C(N[C@@H](CC5=CC=CC(=C5)S(C)(=O)=O)C(=O)O)=O)Cl)=O)OC=C2 C12=C(C=C(C=C1)C(N3CC=4C(CC3)=C(C(=C(C4)Cl)C(N[C@@H](CC5=CC=CC(=C5)S(C)(=O)=O)C(=O)O)=O)Cl)=O)OC=C2 is an N-acyl-L-alpha-amino acid obtained by formal condensation of the carboxy group of N-[2-(1-benzofuran-6-carbonyl)]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid with the amino group of 3-(methanesulfonyl)-L-phenylalanine. Used for treatment of keratoconjunctivitis sicca (dry eye syndrome). It has the role of lymphocyte function-associated antigen-1 antagonist . It has the role of anti-inflammatory drug .  It is also related to or classified as sulfone  . It is also related to or classified as isoquinolines , 1-benzofurans , N-acyl-L-alpha-amino acid , L-phenylalanine derivative .
The molecule CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O is a C21-steroid that is pregnane which contains a double bond between positions 4 and 5 and is substituted by an oxo group at position 3 and a hydroxy group at position 20. It is a C21-steroid, a 3-oxo-Delta(4) steroid and a 20-hydroxy steroid. It derives from a hydride of a pregnane.
The molecule CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)[NH+](C)C)O)CC=O)C)\\C)C is an organic cation that is the conjugate acid of 5-O-beta-D-mycaminosyl-20-oxotylactone, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a 5-O-beta-D-mycaminosyl-20-oxotylonolide.
The molecule [210Po] [210Po] is the radioactive isotope of polonium with relative atomic mass 209.98286 and half-life of 138.376 days; the only naturally occurring isotope of polonium. It is also related to or classified as polonium atom  .
The molecule CCCCCCCC(=O)OC is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol. It has a role as a metabolite. It is a fatty acid methyl ester and an octanoate ester.
The molecule C1=C(C=C(C(=C1Br)O)Br)C#N is a dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4. It has a role as an environmental contaminant, a xenobiotic and a herbicide. It is a member of phenols, a dibromobenzene and a hydroxynitrile. It derives from a 2,6-dibromophenol. It is a conjugate acid of a 3,5-dibromo-4-oxidobenzonitrile(1-).
The molecule [NH3+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O [NH3+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O is an organic cation obtained by protonation of the two free amino groups of 2-deoxystreptamine; major species at pH 7.3. It is a conjugate acid of 2-deoxystreptamine(1+) . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O(C1=C(O)C=C(C=C1)C)C O(C1=C(O)C=C(C=C1)C)C is 2-Methoxy-5-methylphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule OC(CCCCCCCCCCCCCC)CCC(O)=O OC(CCCCCCCCCCCCCC)CCC(O)=O is DL-4-hydroxy stearic acid. It is also related to or classified as long-chain fatty acid  .
The molecule O=C1N=C(O)CC12C(=O)N(C(=O)C3=CC=CN32)CC4=CC=C(Br)C=C4F O=C1N=C(O)CC12C(=O)N(C(=O)C3=CC=CN32)CC4=CC=C(Br)C=C4F is ranirestat. It has the role of EC 1.1.1.21 (aldehyde reductase) inhibitor . It is also related to or classified as organic molecular entity .
The molecule CN1C=CC(=C(C1=O)C(=O)[O-])OC is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid; major species at pH 7.3. It is a conjugate base of a 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid.
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC)C(O)=C3C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)=C2)C(OC)=O O1C(C(O)C(O)C(O)C1OC2=C(OC)C(O)=C3C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)=C2)C(OC)=O is 6-Methoxyluteolin 7-glucuronide methyl ester. It is also related to or classified as glucosiduronic acid , flavonoids .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)O is a cardiolipin in which the phosphatidyl acyl groups at positions 1, 1' and 2 are specified as linoleoyl, while that at position 2' is specified as palmitoyl. It derives from a linoleic acid and a hexadecanoic acid. It is a conjugate acid of a 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin(2-).
The molecule OC(=O)CCCCCCCCCCCCC/C=C/CCCCCCCC OC(=O)CCCCCCCCCCCCC/C=C/CCCCCCCC is trans-selacholeic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl is a tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines. It is a tetrachlorobiphenyl and a dichlorobenzene.
The molecule FC(F)(F)COC=1C(=C(OC)C=CC1)C#N FC(F)(F)COC=1C(=C(OC)C=CC1)C#N is 2-Methoxy-6-(2,2,2-trifluoroethoxy)benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule C1=CN=CN1 is an imidazole tautomer which has the migrating hydrogen at position 1. It is a mancude organic heteromonocyclic parent, a monocyclic heteroarene and an imidazole. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole.
The molecule CC(C(=O)O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O is a purine 2'-deoxyribonucleoside consisting of 2'-deoxyguanosine having a 1-carboxyethyl group attached at the N(2)-position. It derives from a 2'-deoxyguanosine.
The molecule C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)N)N is an alkaloid isolated from the marine dinoflagellates and cyanobacteria that causes paralytic shellfish poisoning. It has a role as a neurotoxin, a toxin, a sodium channel blocker and a marine metabolite. It is a carbamate ester, a member of guanidines, an alkaloid, a pyrrolopurine and a ketone hydrate.
The molecule CCCCCCCCCCCCCCCCC(C)CCCCCC CCCCCCCCCCCCCCCCC(C)CCCCCC is 7-methyltricosane. It has the role of pheromone . It has the role of animal metabolite . It is also related to or classified as alkane  .
The molecule C([N+](=O)[O-])(Cl)(Cl)Cl is a C-nitro compound that is nitromethane in which all three hydrogens are replaced by chlorines. It is a severe irritant, and can cause immediate, severe inflammation of the eyes, nose and throat, and significant injuries to the upper and lower respiratory tract. Formerly stockpiled as a chemical warfare agent, it has been widely used in the US as a soil fumigant, particularly for strawberry crops. It is not approved for use within the European Union. It has a role as a fumigant insecticide, a nematicide and an antifungal agrochemical. It is a C-nitro compound, a one-carbon compound and an organochlorine compound.
The molecule FC(F)(F)C1=C(C=NC=C1)C(OC)=O FC(F)(F)C1=C(C=NC=C1)C(OC)=O is Methyl 4-(trifluoromethyl)nicotinate. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule C1=CC=C(C=C1)[Sb+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 is a polyatomic cation consisting of four phenyl groups attached to stibonium. It derives from a hydride of a stibonium.
The molecule c1ccc2nc3ncncc3nc2c1 c1ccc2nc3ncncc3nc2c1 is benzo[g]pteridine. It is also related to or classified as mancude organic heterotricyclic parent , polycyclic heteroarene , benzopteridine , azaarene .