anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C is a microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins. It has a role as a bacterial metabolite, an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor, a xenobiotic and an environmental contaminant.
The molecule OC(Cc1c[nH]c2ccccc12)C([O-])=O OC(Cc1c[nH]c2ccccc12)C([O-])=O is A 2-hydroxy carboxylate that is the conjugate base of 3-(indol-3-yl)lactic acid. It has the role of human metabolite . Its functional parent is lactate . It is also related to or classified as 2-hydroxy carboxylate  .
The molecule O1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC)OC)O)NC([C@H](CCO)O)=O)C O1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC)OC)O)NC([C@H](CCO)O)=O)C is an N-acyl-hexosamine that is the methyl alpha-glycoside of the terminal moiety, and presumed antigenic determinant, of the O-specific polysaccharide of Vibrio cholerae O:1, serotype Ogawa. It has the role of epitope . Its functional parent is alpha-D-mannose . It is also related to or classified as N-acyl-hexosamine  . It is also related to or classified as methyl mannoside .
The molecule CC(=O)c1ccccc1 CC(=O)c1ccccc1 is A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. It has the role of xenobiotic . It has the role of photosensitizing agent . It has the role of animal metabolite . It is also related to or classified as acetophenones .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=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](COS(O)(=O)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is an amino disaccharide consisting at the non-reducing end of a beta-D-galactosyl residue joined through a (1->3) glycosidic linkage to N-acetyl-6-O-sulfo-beta-D-galactose. It is also related to or classified as amino disaccharide , glucosamine oligosaccharide , oligosaccharide sulfate , carbohydrates and carbohydrate derivatives .
The molecule COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)[O-])O)O)O is conjugate base of biochanin A 7-O-(6-O-malonyl-beta-D-glucoside). It is a 3-oxo monocarboxylic acid anion and a flavonoid oxoanion. It is a conjugate base of a biochanin A 7-O-(6-O-malonyl-beta-D-glucoside). It is a conjugate acid of a biochanin A 7-O-beta-D-glucoside 6''-O-malonate(2-).
The molecule [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O is the calcium salt of D-gluconic acid. It has the role of nutraceutical . It is also related to or classified as calcium salt .
The molecule O=C1[C@@H]([C@@H](CC1)CC(O)=O)C/C=C\CC O=C1[C@@H]([C@@H](CC1)CC(O)=O)C/C=C\CC is (3S,7R)-iso-jasmonic acid. Its functional parent is jasmonic acid . It is also related to or classified as Jasmonate derivatives , oxo monocarboxylic acid .
The molecule [C@@H](COCCCCCCCCCCCCCCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])O [C@@H](COCCCCCCCCCCCCCCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])O is A 1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as octadecyl. It is also related to or classified as 1-alkyl-sn-glycero-3-phosphocholine  . It is also related to or classified as organic molecular entity .
The molecule [S+]12[Fe-]3[S+]4[Fe-]1[S+]1[Fe-]2[S+]3[Fe-]41 [S+]12[Fe-]3[S+]4[Fe-]1[S+]1[Fe-]2[S+]3[Fe-]41 is an Fe4S4 iron-sulfur cluster in which each sulfur is attached to three of the iron atoms. It has the role of cofactor . It is also related to or classified as Fe4S4 iron-sulfur cluster .
The molecule [Na+].[O-]C(=O)CS[Sb]1OC(=O)CS1 [Na+].[O-]C(=O)CS[Sb]1OC(=O)CS1 is antimony sodium thioglycollate. It has the role of schistosomicide drug . It is also related to or classified as antimony molecular entity .
The molecule C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@@H]([C@H]2O)OS([O-])(=O)=O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC([O-])=O)C)[H])[H])[H])C)[H])O C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@@H]([C@H]2O)OS([O-])(=O)=O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC([O-])=O)C)[H])[H])[H])C)[H])O is A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of alpha-muricholic acid 7-sulfate; major species at pH 7.3. Its functional parent is alpha-muricholate . It is also related to or classified as steroid sulfate oxoanion .
The molecule CCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)([O-])OCC[N+](C)(C)C is a 1-hexanoyl-2-acyl-sn-glycero-3-phosphocholine in which the acyl group at position 2 is specified as heptanoyl. It is a phosphatidylcholine 13:0 and a 1-hexanoyl-2-acyl-sn-glycero-3-phosphocholine. It derives from a heptanoic acid and a hexanoic acid.
The molecule S(O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)C(O[C@@H]4CO)O)O[C@@H]([C@@H]2O)CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O S(O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)C(O[C@@H]4CO)O)O[C@@H]([C@@H]2O)CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O is [(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule CSCC[C@H](N)C([O-])=O CSCC[C@H](N)C([O-])=O is the L-enantiomer of  methioninate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as methioninate  .
The molecule N1(C2=C(C(NC(=N2)N)=O)N=C1)[C@@H]3O[C@H](COP(OP(O[C@@H]4[C@H](C=C([C@H](O4)C)N)O)(O)=O)(O)=O)[C@H]([C@H]3O)O N1(C2=C(C(NC(=N2)N)=O)N=C1)[C@@H]3O[C@H](COP(OP(O[C@@H]4[C@H](C=C([C@H](O4)C)N)O)(O)=O)(O)=O)[C@H]([C@H]3O)O is A GDP-hexose having 4-amino-3,4,6-trideoxy-alpha-D-threo-hex-3-enopyranose as the hexose fragment. It is a conjugate acid of GDP-4-amino-3,4,6-trideoxy-alpha-D-threo-hex-3-enopyranose(2-) . It is also related to or classified as GDP-hexose  .
The molecule CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc12 CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc12 is 7-Chloro-1H-1,5-benzodiazepine-2,4(3H,5H)-dione in which the hydrogen attached to the nitrogen at position 1 is substituted by a methyl group, whilst that attached to the other nitrogen is substituted by a phenyl group. It is used for the short-term management of acute anxiety and as an adjunct in the treatment of epilepsy in association with other antiepileptics. It has the role of anxiolytic drug . It has the role of anticonvulsant . It has the role of GABA modulator .  It is also related to or classified as organochlorine compound  . It is also related to or classified as 1,4-benzodiazepinone .
The molecule CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl is an N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder. It has a role as a dopamine agonist, a second generation antipsychotic and a serotonergic antagonist. It is a member of ureas, a N-alkylpiperazine, a N-arylpiperazine and a dichlorobenzene. It is a conjugate base of a cariprazine(1+).
The molecule O=C1N[C@](C(=O)O)([C@@H](O)[C@@H]2C=CCCC2)[C@]([C@H]1CCCCCC)(O)C O=C1N[C@](C(=O)O)([C@@H](O)[C@@H]2C=CCCC2)[C@]([C@H]1CCCCCC)(O)C is Cinnabaramide E. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][C@]1(C=CC2=CC[C@H](N)C(=O)N12)C(=O)N[C@@H](CC(N)=O)C(O)=O [H][C@]1(C=CC2=CC[C@H](N)C(=O)N12)C(=O)N[C@@H](CC(N)=O)C(O)=O is A member of the class of indolizines that is 3,5,6,7-tetrahydroindolizine which carries a 2-aminoacyl-4-amino-4-oxobutanoic acid, oxo, amino groups at positions 3S, 5 and 6S, respectively. It is a ribosomally encoded and post-translationally modified peptide natural product found in several species of the Pantoea genus and derived from a Glu-Glu-Asn precursor peptide. It has the role of EC 2.6.1.11 (acetylornithine transaminase) inhibitor . It has the role of antibacterial agent . It has the role of bacterial metabolite . It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as monocarboxylic acid , indolizines , primary amino compound .
The molecule [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C is lanostane. It is also related to or classified as triterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule N1(C2=C(C(NC(=N2)N)=O)N=C1)[C@@H]3O[C@H](COP(OP(O[C@@H]4[C@H](C=C([C@H](O4)C)N)O)([O-])=O)([O-])=O)[C@H]([C@H]3O)O N1(C2=C(C(NC(=N2)N)=O)N=C1)[C@@H]3O[C@H](COP(OP(O[C@@H]4[C@H](C=C([C@H](O4)C)N)O)([O-])=O)([O-])=O)[C@H]([C@H]3O)O is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-4-amino-3,4,6-trideoxy-alpha-D-threo-hex-3-enopyranose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C is an androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. It has a role as an androgen, a human metabolite and a mouse metabolite. It is a 17-oxo steroid, an androstanoid and a 3beta-hydroxy-Delta(5)-steroid.
The molecule O[C@@H]1[C@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1OP(O)(O)=O O[C@@H]1[C@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1OP(O)(O)=O is A myo-inositol trisphosphate having the three phosphate groups at the 3-, 4-, and 6-positions. Its functional parent is myo-inositol . It is a conjugate acid of 1D-myo-inositol 3,4,6-trisphosphate(6-) . It is also related to or classified as myo-inositol trisphosphate .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCC(=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 an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoic acid. It is a 3-oxo-fatty acyl-CoA, an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA(4-).
The molecule CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C is an organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'. It is a conjugate acid of 3,7-bis(dimethylamino)phenothiazine . It is also related to or classified as organic cation .
The molecule C[C@H](CCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12 C[C@H](CCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12 is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (5R)-5-hydroxyhexanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#12 . Its functional parent is (5R)-5-hydroxyhexanoic acid . It is a conjugate acid of icas#12(1-) . It is also related to or classified as monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .
The molecule [H][C@]12C[C@]3(O)[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](OC(C)=O)[C@]2([H])[C@@]4(C)CC[C@H](OC)[C@@]32C1N(CC)C4 [H][C@]12C[C@]3(O)[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](OC(C)=O)[C@]2([H])[C@@]4(C)CC[C@H](OC)[C@@]32C1N(CC)C4 is deltaline.  It is also related to or classified as tertiary alcohol  . It is also related to or classified as acetate ester  . It is also related to or classified as diterpene alkaloid , tertiary amino compound , organic polycyclic compound , cyclic acetal .
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)CO)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O is a linear tetrasaccharide consisting of two beta-D-mannose residues, an alpha-L-rhamnose residue and a beta-D-glucose residue (at the reducing end), joined by sequential (1->3), (1->3) and (1->3) linkages.
The molecule NCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO NCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO is A primary amide formed between lactobionic acid and hexane-1,6-diamine. Its functional parent is lactobionic acid . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as glycosylglucose derivative .
The molecule C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O is A non-proteinogenic alpha-amino acid that is alanine in which the alpha-hydrogen is replaced by a 4-carboxyphenyl group (the S-enantiomer). It is a non-selective group I/group II metabotropic glutamate receptor (mGluR) antagonist. It has the role of metabotropic glutamate receptor antagonist . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule [C@](C=1C(=CC(=CC1)OC=2C=CC(=CC2)Cl)C(F)(F)F)(CN3N=CN=C3)(C)O [C@](C=1C(=CC(=CC1)OC=2C=CC(=CC2)Cl)C(F)(F)F)(CN3N=CN=C3)(C)O is A 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol that is the (S)-enantiomer of mefentrifluconazole. It is also related to or classified as 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol  .
The molecule O.O.O.O.O.O.O.[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)[N-]C2=O)o1.[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)[N-]C2=O)o1 O.O.O.O.O.O.O.[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)[N-]C2=O)o1.[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)[N-]C2=O)o1 is A hydrate which is the hemiheptahydrate of anhydrous dantrolene sodium. It has the role of muscle relaxant . It is also related to or classified as hydrate .
The molecule O1C(C(OC1C2=CC(OC)=C(O)C=C2)C)C O1C(C(OC1C2=CC(OC)=C(O)C=C2)C)C is Vanillin 1,2-butylene glycol acetal. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[Cl-].[Cl-].[Ru+2] is a ruthenium coordination entity consisting of ruthenium(II) chloride bound to three 2,2'-bipyridine units. It has a role as a fluorochrome. It is an organic chloride salt and a ruthenium coordination entity. It contains a 2,2'-bipyridine and a tris(2,2'-bipyridine)ruthenium(II).
The molecule [C@@](C=1C(=CC(=CC1)OC=2C=CC(=CC2)Cl)C(F)(F)F)(CN3N=CN=C3)(C)O [C@@](C=1C(=CC(=CC1)OC=2C=CC(=CC2)Cl)C(F)(F)F)(CN3N=CN=C3)(C)O is A 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol that is the (R)-enantiomer of mefentrifluconazole. It is also related to or classified as 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol  .
The molecule CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2c(C)c1F)C1CC1 CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2c(C)c1F)C1CC1 is Grepafloxacin. It is also related to or classified as quinolines , quinolone antibiotic , fluoroquinolone antibiotic .
The molecule CC(C)C[C@H](N)C(N)=O CC(C)C[C@H](N)C(N)=O is an amino acid amide that is L-leucine in which the carboxy OH group is replaced by NH2. It is also related to or classified as amino acid amide , L-leucine derivative .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O is the alpha-anomer of D-mannose 6-phosphate. It has a role as an epitope. It derives from a beta-D-mannose. It is a conjugate acid of an alpha-D-mannose 6-phosphate(2-).
The molecule O(C=1C=2N(C(=O)C=C3C2N(C=4C3=CC=CC4)C(=O)C1O)C)C O(C=1C=2N(C(=O)C=C3C2N(C=4C3=CC=CC4)C(=O)C1O)C)C is 5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione. It is also related to or classified as alkaloid  . It is also related to or classified as organic heterotetracyclic compound .
The molecule N1(C2=C(C(NC(=N2)N)=O)N=C1)[C@@H]3O[C@H](COP(OP(O[C@@H]4[C@H](CC([C@H](O4)C)=[NH2+])O)([O-])=O)([O-])=O)[C@H]([C@H]3O)O N1(C2=C(C(NC(=N2)N)=O)N=C1)[C@@H]3O[C@H](COP(OP(O[C@@H]4[C@H](CC([C@H](O4)C)=[NH2+])O)([O-])=O)([O-])=O)[C@H]([C@H]3O)O is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-(2S,3S,6R)-3-hydroxy-5-imino-6-methyloxane; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 is A cyclopropanecarboxylate ester obtained by formal condensation between 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. It is the active insecticide of the proinsecticide tralomethrin. It has the role of antifeedant . It has the role of agrochemical . It has the role of EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor . It has the role of calcium channel agonist . It has the role of pyrethroid ester insecticide . Its functional parent is cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acid . It is also related to or classified as nitrile  .  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether , cyclopropanecarboxylate ester .
The molecule S([C@@H]([C@@H](O)CCCCC)/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(O)=O)C[C@H](N)C(=O)NCC(O)=O S([C@@H]([C@@H](O)CCCCC)/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(O)=O)C[C@H](N)C(=O)NCC(O)=O is 14,15-HxA3-D(11S). It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
The molecule CCCCCCCCCCCCCCCCCO is a long-chain fatty alcohol that is heptadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. It has a role as a plant metabolite. It is a long-chain primary fatty alcohol and a primary alcohol.
The molecule O(CC1=CC=CC=C1)C(=O)CC2=CC=CC=C2 O(CC1=CC=CC=C1)C(=O)CC2=CC=CC=C2 is Phenylmethyl benzeneacetate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule C([C@@H](C(O)=O)N)[SeH] C([C@@H](C(O)=O)N)[SeH] is the L-enantiomer of selenocysteine. It has the role of human metabolite . It is a conjugate acid of L-selenocysteinate(1-) . It is also related to or classified as L-alpha-amino acid  .   It is also related to or classified as selenocysteine  . It is also related to or classified as proteinogenic amino acid , L-alanine derivative .
The molecule [Ca++].CC([O-])=O.CC([O-])=O [Ca++].CC([O-])=O.CC([O-])=O is the calcium salt of acetic acid. It is used, commonly as a hydrate, to treat hyperphosphataemia (excess phosphate in the blood) in patients with kidney disease: the calcium ion combines with dietary phosphate to form (insoluble) calcium phosphate, which is excreted in the faeces. It has the role of chelator . It is also related to or classified as calcium salt .
The molecule CC(=O)N[C@@H](CCS(=N)(=O)C)C(=O)O is an N-acyl-L-alpha-amino acid that is L-methionine sulfoximine in which a hydrogen attached to the nitrogen is replaced by an acetyl group. It is a N-acetyl-L-amino acid, a L-methionine derivative, a N-acyl-L-alpha-amino acid and a sulfoximide. It is a conjugate acid of a N-acetyl-L-methionine sulfoximine(1-).
The molecule OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O is the pyranose form of L-glucuronic acid. It is also related to or classified as L-glucuronic acid .
The molecule COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 is A quinazoline that is 7-[(1-methylpiperidin-4-yl)methoxy]quinazoline bearing additional methoxy and 4-bromo-2-fluorophenylamino substituents at positions 6 and 4 respectively. Used for the treatment of symptomatic or progressive medullary thyroid cancer in patients with unresectable locally advanced or metastatic disease. It has the role of antineoplastic agent . It has the role of tyrosine kinase inhibitor .  It is also related to or classified as secondary amine  .  It is also related to or classified as organobromine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as piperidines , aromatic ether , quinazolines .
The molecule CSCCC(C(=O)O)[NH3+] is a sulfur-containing amino-acid anion that is the conjugate acid of methionine, arising from protonation of the amino group. It is a conjugate acid of a methionine.
The molecule CCCCCCCCCCCCCCCCCCC([O-])=O CCCCCCCCCCCCCCCCCCC([O-])=O is A nineteen carbon straight-chain fatty acid anion. Major species at pH 7.3. It has the role of fungal metabolite .  It is also related to or classified as fatty acid anion 19:0  . It is also related to or classified as straight-chain saturated fatty acid anion .
The molecule C(C(CP([O-])=O)C([O-])=O)(C([O-])=O)O C(C(CP([O-])=O)C([O-])=O)(C([O-])=O)O is A dicarboxylic acid anion obtained by deprotonation of the carboxy and phosphino groups of phosphinomethylisomalic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid anion .
The molecule CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O is A macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups.. Its functional parent is tylactone . It is also related to or classified as aldehyde  .   It is also related to or classified as enone  . It is also related to or classified as leucomycin , macrolide antibiotic , disaccharide derivative , monosaccharide derivative .
The molecule N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(CC[C@H]5O)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3O)O N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(CC[C@H]5O)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3O)O is A tetrahydronicotinamide adenine dinucleotide obtained by formal stereo- and regioselective hydration across the 5,6-double bond in the nicotinyl ring of NADH, with the hydroxy group located at position 6, having (R)-configuration. Its functional parent is NADH . It is a conjugate acid of (R)-NADHX(2-) .  It is also related to or classified as hemiaminal  . It is also related to or classified as tetrahydronicotinamide adenine dinucleotide .
The molecule [Na]OC#N [Na]OC#N is sodium cyanate. It is also related to or classified as cyanate salt , one-carbon compound .
The molecule C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+] is an organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ascorbic acid by a sodium ion. It has a role as a water-soluble vitamin, a vitamin C, a food antioxidant, a flour treatment agent, a coenzyme, a plant metabolite, a human metabolite, a Daphnia magna metabolite and a reducing agent. It contains a L-ascorbate.