anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC1(CC(O)=O)OC(=O)C=C1 CC1(CC(O)=O)OC(=O)C=C1 is A 5-oxo-2-furylacetic acid having a 4-methyl substituent. It is a conjugate acid of 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1-) . It is also related to or classified as 5-oxo-2-furylacetic acid .
The molecule C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C(=C5)O)O)O)[O-] C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C(=C5)O)O)O)[O-] is A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside. The major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](CO)O is an N-acyl-sn-glycero-3-phosphoethanolamine in which the N-acyl group is specified as icosanoyl. It derives from an icosanoic acid. It is a conjugate acid of a N-icosanoyl-sn-glycero-3-phosphoethanolamine(1-).
The molecule [O-]C(=O)c1ccc(Cl)cc1 [O-]C(=O)c1ccc(Cl)cc1 is A chlorobenzoate that is the conjugate base of 4-chlorobenzoic acid. It has the role of bacterial xenobiotic metabolite . Its functional parent is benzoate . It is also related to or classified as chlorobenzoate .
The molecule O1[C@]2([C@@]34O[C@H](C2)C5=CC=C(N5[C@@H]4[C@H]1[C@H](N6C(C)=CC=C36)C)C)[C@@H](O)C O1[C@]2([C@@]34O[C@H](C2)C5=CC=C(N5[C@@H]4[C@H]1[C@H](N6C(C)=CC=C36)C)C)[C@@H](O)C is Bipolamine F. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule O[C@H]1C[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O O[C@H]1C[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O is A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the diphosphate OH groups of 2'-deoxyuridine 5'-diphosphate (dUDP). It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as 2'-deoxyribonucleoside 5'-diphosphate(3-)  .
The molecule CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N=C)C(=O)O)C is a penicillin compound having a 6beta-(2R)-2-(methylideneamino)-2-phenylacetamido side-group. It is a penicillin and a penicillin allergen. It is a conjugate acid of a metampicillin(1-).
The molecule OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O is A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells. It has the role of geroprotector . It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of histamine antagonist . It has the role of bone density conservation agent . It has the role of antipruritic drug . It has the role of osteogenesis regulator . It has the role of plant metabolite . Its functional parent is beta-D-glucose . It is a conjugate acid of quercetin 3-O-beta-D-glucopyranoside(1-) . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as monosaccharide derivative , quercetin O-glucoside .
The molecule O=C(NCC1=CC(OC)=C(O)C=C1)CCCCCCCC(C)C O=C(NCC1=CC(OC)=C(O)C=C1)CCCCCCCC(C)C is Homodihydrocapsaicin. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(COC4=CC=CC5=CC=CC=C54)O is a member of the class of oxopurines that is 3-methyl-8-(morpholin-4-yl)-3,7-dihydropurine-2,6-dione bearing an additional 2-hydroxy-3-[(naphthalen-1-yl)oxy]propyl substituent at position 7. It is a member of morpholines, an alkyloxynaphthalene, a secondary alcohol and an oxopurine.
The molecule Oc1cc(Cl)ccc1Cl Oc1cc(Cl)ccc1Cl is A dichlorophenol with the chloro substituents at positions 2 and 5. It has the role of human xenobiotic metabolite . It is also related to or classified as dichlorophenol .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C is N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H](OP([O-])([O-])=O)[C@H](NC(=O)CCCCCCS)C([O-])=O C[C@@H](OP([O-])([O-])=O)[C@H](NC(=O)CCCCCCS)C([O-])=O is trianion of coenzyme B. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organophosphate oxoanion .
The molecule OC1(C(CNC)C2=CC=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)CCCCC1 OC1(C(CNC)C2=CC=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)CCCCC1 is N,O-didesmethylvenlafaxine-glucuronide. It is also related to or classified as aralkylamine  .   It is also related to or classified as glycoside  . It is also related to or classified as cyclohexanols , glucosiduronic acid .
The molecule CCCCCCCCCCCCC/C=C/C(=O)O is a hexadecenoic acid having a trans-double bond at the 2-position. It has a role as a metabolite. It is a hexadecenoic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of an (E)-hexadec-2-enoate.
The molecule OC1C=2C=3C(C(=O)C1O)=CC=CC3C=CC2C4=CC(O)=C(O)C=C4 OC1C=2C=3C(C(=O)C1O)=CC=CC3C=CC2C4=CC(O)=C(O)C=C4 is 4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C(=C4)O)O)O)[O-] C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C(=C4)O)O)O)[O-] is A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of quercetin. The major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule P1(OC(CC1)COC(=O)CCCCCCCCCCCCCCC)(O)=O P1(OC(CC1)COC(=O)CCCCCCCCCCCCCCC)(O)=O is Palmitoyl 3-carbacyclic Phosphatidic Acid. It is also related to or classified as fatty acid ester  .
The molecule CSCCCCCC(C(=O)O)N(O)O is an N,N-dihydroxy-alpha-amino acid having a 6-thiaheptyl substituent at the 2-position. It derives from a trihomomethionine. It is a conjugate acid of a N,N-dihydroxytrihomomethioninate.
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(COP(=O)(O)O)COP(=O)(O)OCC(CO)O)O)O)O)O is a poly(glycerol phosphate) macromolecule having alpha-D-glucosyl residues at the secondary hydroxy groups on the repeating units. It is a poly(glycerol phosphate) macromolecule and a glycopolymer macromolecule.
The molecule CC(=O)N1CCC[C@H]1C(O)=O CC(=O)N1CCC[C@H]1C(O)=O is N-acetyl-L-proline. It is also related to or classified as N-acetyl-L-amino acid , pyrrolidinemonocarboxylic acid , N-acylpyrrolidine , L-proline derivative .
The molecule C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(O)=O C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(O)=O is an L-alanine derivative consisting of an N-acetyl-D-muramoyl group attached to L-alanine via an amide linkage. It is a conjugate acid of N-acetyl-D-muramoyl-L-alaninate . It is also related to or classified as glyco-amino acid , L-alanine derivative .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCCCCCC[C@H](CC(=O)O)O)O)O is an omega-hydroxy fatty acid ascaroside that derived from reaction of the omega-hydroxy group of (3R)-3,22-dihydroxybehenic acid [(3R)-3,22-dihydroxydocosanoic acid] with alpha-ascarylopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an omega-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid and a monocarboxylic acid. It derives from a (3R)-3,22-dihydroxybehenic acid.
The molecule C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O is A  quercetin O-glucoside that is  quercetin attached to beta-D-glucopyranosyl residue at position 3 and a alpha-L-rhamnopyranosyl residue at position 7 via glycosidic linkages. Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity. It has the role of trypanocidal drug . It has the role of plant metabolite . Its functional parent is alpha-L-rhamnopyranose . It is a conjugate acid of petiolaroside(1-) . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trihydroxyflavone , quercetin O-glucoside .
The molecule C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] is A sphingomyelin obtained by formal condensation of the carboxy group of octadecanoic acid with the amino group of 15-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine  .
The molecule CC[C@@H](C)[C@@H](N)C(O)=O CC[C@@H](C)[C@@H](N)C(O)=O is the D-enantiomer of isoleucine. It has the role of Saccharomyces cerevisiae metabolite . It has the role of bacterial metabolite . It is a conjugate acid of D-isoleucinate . It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as isoleucine  .
The molecule COC1=C(C=CC(=C1)/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)[O-])O is a monocarboxylic acid anion that is the conjugate base of 16-feruloyloxypalmitic acid obtained by deprotonation of the carboxy group. It is a conjugate base of a 16-feruloyloxypalmitic acid.
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O is a branched tetrasaccharide that consists of sucrose having two additional beta-fructosyl residues attached to the fructose at positions 1 and 6. It derives from a sucrose.
The molecule O=C1N2[C@H](C(=O)OC(C(O)CC(O)CC)(CC(C3OC(CC3)CCC=C(C(C(CCC=C1)C)=O)C)C)C)CCCC2 O=C1N2[C@H](C(=O)OC(C(O)CC(O)CC)(CC(C3OC(CC3)CCC=C(C(C(CCC=C1)C)=O)C)C)C)CCCC2 is Nocardiopsin B. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule [C@@H]1([C@H](NC(=O)N1)CCCCCC(=O)[O-])C [C@@H]1([C@H](NC(=O)N1)CCCCCC(=O)[O-])C is A monocarboxylic acid anion that is the conjugate base of (4R,5S)-dethiobiotin, arising from the deprotonation of the carboxy group. Major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C1=CC=C2C(=C1)SC=3C(N2CC4CN(CC4)C)=CC=CC3 C1=CC=C2C(=C1)SC=3C(N2CC4CN(CC4)C)=CC=CC3 is A phenothiazine substituted on nitrogen by a (1-methylpyrrolidin-3-yl)methyl group; a first-generation antihistamine with anticholinergic properties. It has the role of histamine antagonist . It has the role of cholinergic antagonist . It has the role of antipruritic drug . It is also related to or classified as phenothiazines , N-alkylpyrrolidine .
The molecule O[C@@H]1[C@@H](CCC(=O)c2cccc(c2)C([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O O[C@@H]1[C@@H](CCC(=O)c2cccc(c2)C([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O is A 5-oxo monocarboxylic acid anion that is the conjugate base of futalosine. It is also related to or classified as 5-oxo monocarboxylic acid anion .
The molecule [H][C@@]1(CCC2C3=CC(=O)[C@@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@]12C)[C@H](C)CCCC(C)COS(O)(=O)=O [H][C@@]1(CCC2C3=CC(=O)[C@@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@]12C)[C@H](C)CCCC(C)COS(O)(=O)=O is asterasterol B. It has the role of animal metabolite . It has the role of marine metabolite .  It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as C27-steroid , 6-oxo steroid , sulfooxy steroid .
The molecule C1=CC(=CC=C1C2=C(C=C3C(=CC(=O)C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC(=C(C=C6)O)O)O)O)O)O is conjugate base of pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside. It is a conjugate base of a pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside.
The molecule C(CC([O-])=O)(O)(CC([O-])=O)C([O-])=O.[Fe+3].O C(CC([O-])=O)(O)(CC([O-])=O)C([O-])=O.[Fe+3].O is A hydrate that is the monohydrate form of  iron(III) citrate. It is an iron-based phosphate binder approved for hyperphosphataemia in patients with chronic kidney disease. It is also related to or classified as hydrate .
The molecule CCOCCn1c(nc2ccccc12)N1CCCN(C)CC1 CCOCCn1c(nc2ccccc12)N1CCCN(C)CC1 is 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group. A relatively selective histamine H1 antagonist, it is used as the difumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis. It has the role of H1-receptor antagonist . It has the role of anti-allergic agent . It has the role of antipruritic drug . It is also related to or classified as benzimidazoles .
The molecule CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)O[C@@H](CC2=O)C4=CC(=C(C=C4)OC)O)O)C is an extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 5 and 3', a methoxy group at position 4' , a prenyl group at position 6 and a gem-dimethylpyran ring fused across positions 7 and 8. Isolated from Lonchocarpus utilis and Lonchocarpus urucu, it acts as a NADH:ubiquinone reductase inhibitor. It has a role as a metabolite and an EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor. It is an extended flavonoid, a monomethoxyflavanone, a dihydroxyflavanone, a pyranochromane and a member of 4'-methoxyflavanones.
The molecule C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C is 1-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1(C=CC2=C3C(=CC(=C2O1)O)C4=C(O3)C5=C(C=C(C=C5)OC)OC4)C is a member of the class of coumestans that is 9,10-dihydro-6H-[1]benzofuro[3,2-c]chromene substituted by a methoxy group at position 3, a hydroxy group at position 8 and a 6,6-dimethyl-3,6-dihydro-2H-pyran ring fused across positions 9 and 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor. It has a role as a metabolite and a melanin synthesis inhibitor. It is a member of phenols, an aromatic ether and a member of coumestans.
The molecule C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)C4=CC=C(C=C4)O)O)O C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)C4=CC=C(C=C4)O)O)O is A glycosyloxyflavone that is kaempferol attached to an alpha-L-rhamnosyl residue at position 3 via a glycosidic linkage. It has the role of antibacterial agent . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is kaempferol . It is a conjugate acid of afzelin(1-) .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as trihydroxyflavone , monosaccharide derivative .
The molecule C[C@@H]1CC[C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)[O-])O)O is a hydroxy monocarboxylic acid anion that is the conjugate base of monacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a monacolin L acid.
The molecule O1C(CC=2C=3N(C=4C(C(=O)C3C(O)=CC12)=CC=CC4)C)C(CO)=C O1C(CC=2C=3N(C=4C(C(=O)C3C(O)=CC12)=CC=CC4)C)C(CO)=C is Gravacridonol. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(=O)O)O is the S-(3-oxopimeloyl) derivative of coenzyme A. It has a role as a mouse metabolite. It derives from a pimeloyl-CoA and a 3-oxopimelic acid. It is a conjugate acid of a 3-oxopimeloyl-CoA(5-).
The molecule CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)O)(OC5)C)O)O)C)O is a quassinoid isolated from Quassia indica and has been shown to exhibit antimalarial and antineoplastic activity. It has a role as a metabolite, an antimalarial and an antineoplastic agent. It is a delta-lactone, a cyclic ether, an enone, an organic heteropentacyclic compound, a quassinoid, a secondary alcohol, a tetrol and a secondary alpha-hydroxy ketone.
The molecule C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)[O-])NC(=O)/C(=N\\O)/C3=CC=C(C=C3)OCC[C@@H](C(=O)[O-])[NH3+] is conjugate base of isonocardicin A zwitterion where both carboxy groups are deprotonated while the homoserine amino group is protonated. It is a conjugate base of an isonocardicin A zwitterion. It is a conjugate acid of an isonocardicin A(2-).
The molecule Oc1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c2cccc(O)c2[O-])NC(=O)c2cccc(O)c2O)c1O Oc1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c2cccc(O)c2[O-])NC(=O)c2cccc(O)c2O)c1O is A phenolate anion that is the conjugate base of enterobactin, obtained by deprotonation of one of the phenolic hydroxy groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of siderophore . It has the role of bacterial metabolite . It is also related to or classified as phenolate anion .
The molecule C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)C4=CC=C(C=C4)O)O)[O-] C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)C4=CC=C(C=C4)O)O)[O-] is A flavonoid oxonion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of afzelin (kaempferol 3-O-alpha-L-rhamnoside). The major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule FC(F)(F)C1=NC=CC(=C1)C(O)=O FC(F)(F)C1=NC=CC(=C1)C(O)=O is 2-(Trifluoromethyl)isonicotinic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule C(C(=O)O)(Cl)Br is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5℃), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process. It is a monocarboxylic acid, an organochlorine compound and a 2-bromocarboxylic acid.
The molecule C1CCN2N(C1)C(SC2=NC3=C(C=C(C(=C3)SCC(=O)OC)Cl)F)=O C1CCN2N(C1)C(SC2=NC3=C(C=C(C(=C3)SCC(=O)OC)Cl)F)=O is A methyl ester resulting from the formal condensation of the carboxy group of fluthiacet with methanol. A proherbicide for fluthiacet, it is used for the control of broad-leaved weeds in crops such as maize and soya. It has the role of proherbicide . It has the role of agrochemical . It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor . Its functional parent is fluthiacet . It is also related to or classified as organic sulfide  . It is also related to or classified as methyl ester  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as thiadiazolopyridazine , monochlorobenzenes .
The molecule COc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(O)c1 COc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(O)c1 is A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 2' and a methoxy group at position 4' respectively. It has the role of plant metabolite . Its functional parent is isoflavanone . It is also related to or classified as hydroxyisoflavanone , methoxyisoflavanone .
The molecule [H]C(=O)Nc1ccccc1C(=O)C[C@@H]([NH3+])C([O-])=O [H]C(=O)Nc1ccccc1C(=O)C[C@@H]([NH3+])C([O-])=O is zwitterionic form of N-formyl-D-kynurenine having an anionic carboxy group and a protonated amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule [NH3+][C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O [NH3+][C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O is an ammonium ion that is the conjugate acid of 2-amino-2-deoxy-D-glucopyranose. It has the role of human metabolite . It is a conjugate acid of 2-amino-2-deoxy-D-glucopyranose . It is also related to or classified as primary ammonium ion  . It is also related to or classified as ammonium ion derivative .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN(C)C C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN(C)C is N-[(4S,7S,8R)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C(C2=CC=3OCOC3C=C2)=C(OC)C(=O)C4=C1C=C(OC)C=C4 O1C(C2=CC=3OCOC3C=C2)=C(OC)C(=O)C4=C1C=C(OC)C=C4 is Demethoxykanugin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)OS(=O)(=O)O is an oligosaccharide sulfate that is 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose in which the hydroxy group at position 2 of the 4-deoxy-hex-4-enopyranuronosyl moiety is converted to the corresponding sulfate derivative. It derives from a beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc. It is a conjugate acid of a 4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc(2-).
The molecule C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O is A glycosyloxyflavone that consists of myricetin attached to a alpha-L-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Myrica cerifera, it exhibits anti-allergic activity. It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It has the role of anti-allergic agent . It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor . It has the role of plant metabolite . Its functional parent is myricetin . It is a conjugate acid of myricitrin(1-) .  It is also related to or classified as alpha-L-rhamnoside  . It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as pentahydroxyflavone , monosaccharide derivative .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O 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 a conjugate base of a GDP-beta-L-fucose.
The molecule O=C1C2=C(O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)([C@@H](O)C[C@@H](O)C4(C)C)C)C)O[C@@H](C1)C O=C1C2=C(O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)([C@@H](O)C[C@@H](O)C4(C)C)C)C)O[C@@H](C1)C is Talarolutin B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1NC(CC(N([C@@H]1CN=C(NC(=O)N)N)C)=O)CCCN=C(N)N O=C1NC(CC(N([C@@H]1CN=C(NC(=O)N)N)C)=O)CCCN=C(N)N is TAN-1057C. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .