anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1CC2=C(Cl)C=C(C(=O)N[C@@H](CC3=CC=CC=C3)C([O-])=O)C(O)=C2C(=O)O1 C[C@@H]1CC2=C(Cl)C=C(C(=O)N[C@@H](CC3=CC=CC=C3)C([O-])=O)C(O)=C2C(=O)O1 is A monocarboxylic acid anion that is conjugate base of ochratoxin A, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C1(O)=C(CC=C(C)C)C(=C(C(O)=C1CC=C(C)C)C(=O)CC(C)C)O C1(O)=C(CC=C(C)C)C(=C(C(O)=C1CC=C(C)C)C(=O)CC(C)C)O is A 2-acyl-4,6-diprenylphloroglucinol in which the acyl group is specified as 3-methylbutanoyl. It has the role of plant metabolite . It is also related to or classified as 2-acyl-4,6-diprenylphloroglucinol  .
The molecule C(=O)(C(=O)O)N is a dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia. It has a role as an Escherichia coli metabolite. It is a conjugate acid of an oxamate.
The molecule O=C1NC(=O)c2ccccc12 O=C1NC(=O)c2ccccc12 is A  dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3. It is also related to or classified as phthalimides  .
The molecule O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O is trianion of UTP arising from deprotonation of three of the OH groups from the triphosphate moiety. It is also related to or classified as ribonucleoside triphosphate oxoanion .
The molecule C(CCC)CC(/C=C/C=C\C/C=C\C=C\C(CCCC([O-])=O)OO)O C(CCC)CC(/C=C/C=C\C/C=C\C=C\C(CCCC([O-])=O)OO)O is an icosanoid anion that is the conjugate base of 5-hydroperoxy-15-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroperoxy(hydroxy)icosatetraenoate .
The molecule C=1([NH+]=C(NC1)S)C[C@@H](C(=O)[O-])[N+](C)(C)C C=1([NH+]=C(NC1)S)C[C@@H](C(=O)[O-])[N+](C)(C)C is an alpha-amino-acid cation obtained by protonation of the imidazole ring of ergothioneine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of ergothioneine . It is also related to or classified as alpha-amino-acid cation .
The molecule [H+].COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O is an organic cation obtained by protonation of moxifloxacin. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a moxifloxacin.
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC(=O)[C@@H](N)CC=4C=CC(=CC4)O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC(=O)[C@@H](N)CC=4C=CC(=CC4)O)[C@H]3O is an L-tyrosyl ester obtained by formal condensation of the carboxy group of L-tyrosine with the 3'-hydroxy group of AMP. It has the role of Mycoplasma genitalium metabolite . Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as L-tyrosyl ester  . It is also related to or classified as purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate .
The molecule C=1(C(C(C(C(CC(C)C)=O)=C(C1CC=C(C)C)[O-])=O)(CC=C(C)C)CC=C(C)C)O C=1(C(C(C(C(CC(C)C)=O)=C(C1CC=C(C)C)[O-])=O)(CC=C(C)C)CC=C(C)C)O is A beta-bitter acid(1-) that is the conjugate base of lupulone, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as beta-bitter acid(1-)  .
The molecule [H]C(=C([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F [H]C(=C([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is bis(perfluorobutyl)ethene. It has the role of blood substitute . It is also related to or classified as fluorohydrocarbon .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCO is an N-(long-chain-acyl)ethanolamine that is the ethanolamide of (5Z,8Z,11Z,14Z17Z)-eicosapentaenoic acid. It has a role as a PPARgamma agonist. It is a N-(long-chain-acyl)ethanolamine, an endocannabinoid, a N-(polyunsaturated fatty acyl)ethanolamine and a N-acylethanolamine 20:5. It derives from an all-cis-5,8,11,14,17-icosapentaenoic acid.
The molecule C1=COC(=C1)CNC2=NC=NC3=C2NC=N3 is a member of the class of 6-aminopurines that is adenine carrying a (furan-2-ylmethyl) substituent at the exocyclic amino group. It is a member of furans and a member of 6-aminopurines.
The molecule OC1=C(C(O)=C(C(O)=C1)CC=C(C)C)C(=O)C(C)C OC1=C(C(O)=C(C(O)=C1)CC=C(C)C)C(=O)C(C)C is A 2-acyl-4-prenylphloroglucinol in which the acyl group is specified as isobutyryl. It is also related to or classified as 2-acyl-4-prenylphloroglucinol  . It is also related to or classified as benzenetriol .
The molecule C1=CC=C(C=C1)CBr is a member of the class of benzyl bromides that is toluene substituted on the alpha-carbon with bromine. It has a role as a lachrymator.
The molecule O=CCC=O O=CCC=O is A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form. It has the role of biomarker . It is also related to or classified as dialdehyde .
The molecule OC1=C(C(O)=C(C(O)=C1)CC=C(C)C)C(=O)CC(C)C OC1=C(C(O)=C(C(O)=C1)CC=C(C)C)C(=O)CC(C)C is A 2-acyl-4-prenylphloroglucinol in which the acyl group is specified as 3-methylbutanoyl. It is also related to or classified as 2-acyl-4-prenylphloroglucinol  . It is also related to or classified as benzenetriol .
The molecule C[C@H](/C=C/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)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC=C7[C@@]6(CC[C@@H](C7)O)C)C is a steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3beta-hydroxychola-5,22-dien-24-oic acid. It is a conjugate acid of a 3beta-hydroxychola-5,22-dien-24-oyl-CoA(4-).
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC(=O)[C@@H](N)CC4=CNC5=C4C=CC=C5)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC(=O)[C@@H](N)CC4=CNC5=C4C=CC=C5)[C@H]3O is an L-tryptophan derivative that is the ester obtained by formal condensation of the carboxy group of L-tryptophan with the 3'-hydroxy group of AMP. It has the role of Mycoplasma genitalium metabolite . Its functional parent is adenosine 5'-monophosphate .   It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate , L-tryptophan derivative .
The molecule OC1=C(C(O)=C(C(O)=C1)CC=C(C)C)C(=O)C(CC)C OC1=C(C(O)=C(C(O)=C1)CC=C(C)C)C(=O)C(CC)C is A  2-acyl-4-prenylphloroglucinol in which the acyl group is specified as 2-methylbutanoyl. It is also related to or classified as 2-acyl-4-prenylphloroglucinol  .
The molecule C(CC(C(C(=O)O)N)O)CN is a hydroxy-amino acid that is lysine substituted by a hydroxy group at position 3. It is a hydroxy-amino acid, a lysine derivative and a non-proteinogenic alpha-amino acid.
The molecule O1C(=O)C(CCCCCCCCCCCCCCCCC/C=C(/C(CC(O)=O)C(O)=O)\C(O)=O)=C(C1=O)C O1C(=O)C(CCCCCCCCCCCCCCCCC/C=C(/C(CC(O)=O)C(O)=O)\C(O)=O)=C(C1=O)C is Skeletocutin P. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H][C@@]12[C@H](OC(=O)CC[NH+](C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C [H][C@@]12[C@H](OC(=O)CC[NH+](C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C is A tertiary ammonium ion that is the conjugate acid of colforsin daropate, resulting from the protonation of the tertiary amine group. Major species at pH 7.3. It is a conjugate acid of colforsin daropate . It is also related to or classified as tertiary ammonium ion  .
The molecule [S+]1(C(CC1)C(O)=O)C [S+]1(C(CC1)C(O)=O)C is 2-Carboxy-1-methylthietanium. It is also related to or classified as saturated organic heteromonocyclic parent , organosulfur heterocyclic compound .
The molecule OCn1c2ccc(Cl)cc2oc1=O OCn1c2ccc(Cl)cc2oc1=O is 6-chloro-3-(hydroxymethyl)benzoxazolin-2-one.  It is also related to or classified as organochlorine compound  . It is also related to or classified as carbamate ester , 1,3-benzoxazoles .
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[NH3+])O is an acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino group of beta-alanyl-CoA. It is a conjugate base of a beta-alanyl-CoA.
The molecule O[C@]12[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=O)CC4)C)[H])(C[C@H]1O)[H])[H])([C@H](O)C[C@H](O)C2)C O[C@]12[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=O)CC4)C)[H])(C[C@H]1O)[H])[H])([C@H](O)C[C@H](O)C2)C is 1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C1=CC(=C(C=C1/C=C/C(=O)C2=C(C(=C(C=C2)O)O)O)O)O is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 3, 4, 2', 3', and 4' respectively. It has a role as a plant metabolite. It is a member of chalcones and a benzenetriol. It derives from a trans-chalcone.
The molecule OC1=C(C(O)=CC(O)=C1)C(=O)C(CC)C OC1=C(C(O)=CC(O)=C1)C(=O)C(CC)C is A 2-acylphloroglucinol in which the acyl group is specified as 2-methylbutanoyl. It is also related to or classified as 2-acylphloroglucinol  .
The molecule CC1=CC(=O)CC([C@@]1(/C=C/C(=C/C(=O)[O-])/C)O)(C)C is a 2-trans-abscisate obtained by removal of a proton from the carboxy group of (R)-2-trans-abscisic acid. It is a conjugate base of a (R)-2-trans-abscisic acid. It is an enantiomer of a (S)-2-trans-abscisate.
The molecule O(C(=O)N1C(N(C(=O)C1CC(C)C)C)C(C)(C)C)C(C)(C)C O(C(=O)N1C(N(C(=O)C1CC(C)C)C)C(C)(C)C)C(C)(C)C is Imidazolidine-1-carboxylic acid, 2-t-butyl-5-isobutyl-3-methyl-4-oxo-, t-butyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C is A labdane diterpenoid isolated from the Indian Coleus plant. It has the role of antihypertensive agent . It has the role of platelet aggregation inhibitor . It has the role of anti-HIV agent . It has the role of plant metabolite . It has the role of protein kinase A agonist . It has the role of adenylate cyclase agonist . It is also related to or classified as tertiary alpha-hydroxy ketone  .     It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotricyclic compound , triol , labdane diterpenoid , cyclic ketone .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC([C@H]([C@H](CC)C)N)=O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC([C@H]([C@H](CC)C)N)=O)[C@H]3O is an L-isoleucine derivative that is the ester obtained by formal condensation of the carboxy group of L-isoleucine with the 3'-hydroxy group of AMP. It has the role of Mycoplasma genitalium metabolite . Its functional parent is adenosine 5'-monophosphate .   It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate , L-isoleucine derivative .
The molecule C1=CC=CC(=C1N2C(=C(N=C2)C#N)N)C(=O)O C1=CC=CC(=C1N2C(=C(N=C2)C#N)N)C(=O)O is A member of the class of benzoic acids that is benzoic acid in which the hydrogen at position 2 has been replaced by a 5-amino-4-cyano-1H-imidazol-1-yl group. It is also related to or classified as nitrile  . It is also related to or classified as aminoimidazole , benzoic acids , primary amino compound .
The molecule CCCCCC/C=C\\CCOS(=O)(=O)[O-] is an organosulfate oxoanion that is the conjugate base of (3Z)-dec-3-en-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has a role as a Daphnia pulex metabolite and a kairomone. It is a conjugate base of a (3Z)-dec-3-en-1-yl hydrogen sulfate.
The molecule O1C(C(O)C(O)C(O)C1OC2=C(C(=O)CCC3=CC=CC=C3)C=C(O)C=C2)C(O)=O O1C(C(O)C(O)C(O)C1OC2=C(C(=O)CCC3=CC=CC=C3)C=C(O)C=C2)C(O)=O is 3,4,5-trihydroxy-6-[4-hydroxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COc1cc(C=CC(O)=O)cc(OC)c1O COc1cc(C=CC(O)=O)cc(OC)c1O is A monohydroxycinnamic acid that is cinnamic acid in which the phenyl hydrogens at positions 3, 4, and 5 are replaced by methoxy, hydroxy, and methoxy groups, respectively.   It is also related to or classified as phenols  . It is also related to or classified as monohydroxycinnamic acid , phenylpropanoid , dimethoxybenzene , methoxycinnamic acid .
The molecule OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O is the pyranose form of D-mannose 6-phosphate. It is a conjugate acid of D-mannopyranose 6-phosphate(2-) .  It is also related to or classified as D-hexopyranose 6-phosphate  . It is also related to or classified as D-mannose 6-phosphate .
The molecule C1=CC(=CC(=C1N2C(=C(N=C2)C#N)N)C(=O)O)N3CCN(CC3)C C1=CC(=CC(=C1N2C(=C(N=C2)C#N)N)C(=O)O)N3CCN(CC3)C is A member of the class of benzoic acids that is benzoic acid in which the hydrogen at position 2 has been replaced by  a 5-amino-4-cyano-1H-imidazol-1-yl group while the hydrogen at position 5 has been replaced by a 4-methylpiperazin-1-yl group. It is also related to or classified as nitrile  . It is also related to or classified as aminoimidazole , benzoic acids , N-arylpiperazine , N-methylpiperazine , primary amino compound .
The molecule C1=C(N=C2C(=O)NC(=NC2=N1)N)CNCCCC[C@H](C(=O)O)N is a D-lysine derivative in which D-lysine is substituted on N(6) by a (2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl group. It is a D-lysine derivative and a D-alpha-amino acid. It derives from a 2-aminopteridin-4(3H)-one.
The molecule [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCCCN3C[C@H](C)O[C@H](C)C3)ccc1N2C [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCCCN3C[C@H](C)O[C@H](C)C3)ccc1N2C is 5-O-[8-(cis-2,6-dimethylmorpholino)octylcarbamoyl]eseroline. Its functional parent is eseroline . It is also related to or classified as carbamate ester , morpholines .
The molecule CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc1cccc(c1)[N+](C)(C)C CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc1cccc(c1)[N+](C)(C)C is the bis(quaternary ammonium) dication obtained by N,N'-dimethylation of the N,N'-bis[3-(dimethylamino)phenyl carbamate] derivative of 2,13-diazatetradecane.  It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as carbamate ester .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(N4CCOCC4)O)[C@@H](O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(N4CCOCC4)O)[C@@H](O)[C@H]3O is an organic phosphoramidate obtained by formal condensation of the phosphate group of AMP with the amino group of L-morpholine. It has the role of Mycoplasma genitalium metabolite . Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as organic phosphoramidate , morpholines .
The molecule C1(CCC(=CC1)C)C(C)C C1(CCC(=CC1)C)C(C)C is A monoterpene that is cyclohexene carrying methyl and isopropyl substituents at positions 1 and 4 respectively. It is also related to or classified as cycloalkene  . It is also related to or classified as monoterpene  .
The molecule C1C(O1)CCl.C(CNCCN)N.Cl is the hydrochloride of colestipol, a highly cross-linked, high molecular weight copolymer of diethylenetriamine and epichlorohydrin (hydrochloride), with approximately 1 out of 5 amine nitrogens protonated. It is used for binding bile acids in the intestine, inhibiting their reabsorption. It has a role as an anticholesteremic drug. It contains a colestipol.
The molecule OC[C@H]([C@H](O)[C@@H]([C@@H](CO)O)O)O OC[C@H]([C@H](O)[C@@H]([C@@H](CO)O)O)O is A hexitol that is hexane-1,2,3,4,5,6-hexol having (2R,3R,4S,5R) configuration; the D-enantiomer of altritol. It has the role of marine metabolite . It has the role of algal metabolite . It is also related to or classified as hexitol  .
The molecule C[C@@H](CC[C@H](C(=O)O)N)N is a diamino acid that is hexanoic acid carrying two amino substituents at positions 2 and 5 (the 2R,5S-diastereomer). It derives from a D-norleucine. It is a conjugate base of a (2R,5S)-2,5-diammoniohexanoate.
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H]3O is an L-valyl ester obtained by formal condensation of the carboxy group of L-valine with the 3'-hydroxy group of AMP. It has the role of Mycoplasma genitalium metabolite . Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as L-valyl ester , purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate .
The molecule C1(=C(CC=C(C)C)C(=C(C(=O)/C=C/C2=CC=C(C=C2)O)C(=C1)OC)[O-])OC C1(=C(CC=C(C)C)C(=C(C(=O)/C=C/C2=CC=C(C=C2)O)C(=C1)OC)[O-])OC is A phenolate anion that is the conjugate base of 4'-O-methylxanthohumol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as phenolate anion .
The molecule CC(C)C[C@H](N[C@@H](CC1=CN=CN1CC1=CC(Cl)=CC(Cl)=C1)C(O)=O)C(O)=O CC(C)C[C@H](N[C@@H](CC1=CN=CN1CC1=CC(Cl)=CC(Cl)=C1)C(O)=O)C(O)=O is A L-histidine derivative that is L-histidine in which a hydrogen of the primary amino group is substituted by a (1S)-1-carboxy-3-methylbutyl group and the ring NH group is substituted by a 3,5-dichlorobenzyl group. It is a potent and selective human angiotensin-converting enzyme 2 (ACE2) inhibitor (IC50 = 0.44 nM) which was in clinical development for the treatment of ulcerative colitis. It has the role of EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor . It has the role of anti-inflammatory agent . It is also related to or classified as dichlorobenzene  . It is also related to or classified as L-leucine derivative , L-histidine derivative .
The molecule CCCCCCCCCCCCCCCCCC(=O)NCCO is an N-(long-chain-acyl)ethanolamine that is the ethanolamide of octadecanoic acid. It is a N-(long-chain-acyl)ethanolamine, a N-(saturated fatty acyl)ethanolamine and a N-acylethanolamine 18:0. It derives from an octadecanoic acid.
The molecule [Br-].[Br-].CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc1cccc(c1)[N+](C)(C)C [Br-].[Br-].CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc1cccc(c1)[N+](C)(C)C is the methobromide salt of the N,N'-bis[3-(dimethylamino)phenyl carbamate] derivative of 2,13-diazatetradecane. It is an inhibitor of acetylcholinesterase and pseudocholinesterase, with a long duration of action. It is used in the treatment of chronic open-angle glaucoma: in the eye, it causes constriction of the iris sphincter muscle and the ciliary muscle, facilitating the outflow of the aqueous humor and so reducing intraocular pressure. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It is also related to or classified as bromide salt , carbamate ester , quaternary ammonium salt .
The molecule C1(=C(CC=C(C)C)C(=C(C(=O)/C=C/C2=CC=C(C=C2)O)C(=C1)O)[O-])OC C1(=C(CC=C(C)C)C(=C(C(=O)/C=C/C2=CC=C(C=C2)O)C(=C1)O)[O-])OC is A phenolate anion that is the conjugate base of xanthogalenol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as phenolate anion .
The molecule C=CC[S@](=O)C[C@@H](C(=O)[O-])[NH3+] is an L-alpha-amino acid zwitterion that is allin in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It has a role as an antimicrobial agent, an antioxidant, a cardioprotective agent, a neuroprotective agent and a plant metabolite. It is a tautomer of an alliin.
The molecule O(C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC=3C(=NC=NC32)N)P(O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=NC=6C(=NC=NC65)N)COP(=O)(O)O)(=O)O O(C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC=3C(=NC=NC32)N)P(O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=NC=6C(=NC=NC65)N)COP(=O)(O)O)(=O)O is A 5'-phospho-(3'->5')-dinucleotide composed from two AMP residues. It has the role of Mycoplasma genitalium metabolite . It is a conjugate acid of pApA(3-) . It is also related to or classified as 5'-phospho-(3'->5')-dinucleotide .
The molecule C=1C(=CC=CC1)[S+](C)[O-] C=1C(=CC=CC1)[S+](C)[O-] is A sulfoxide resulting from the formal oxidation of the sulfur atom of thioanisole. Its functional parent is thioanisole . It is also related to or classified as sulfoxide  . It is also related to or classified as benzenes .
The molecule [H][C@@]12[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C [H][C@@]12[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C is A carboxylic ester resuting from the formal condensation of the carboxy group of N,N-dimethyl-beta-alanine with the 6-hydroxy group of forskolin. It is an adenylate cyclase activator. It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of cardiotonic drug . It has the role of adenylate cyclase agonist . Its functional parent is forskolin . It is also related to or classified as diol  .   It is also related to or classified as acetate ester  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , tertiary amino compound .
The molecule C([C@@H](C(=O)[O-])NC=O)C(=O)[O-] is a doubly-charged N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-formyl-L-aspartic acid. It is a N-acyl-L-alpha-amino acid anion and a dicarboxylic acid dianion. It derives from a L-aspartate(2-). It is a conjugate base of a N-formyl-L-aspartic acid.
The molecule CCCC[NH+]1CCCCC1C(=O)NC2=C(C=CC=C2C)C is a racemate composed of equimolar amounts of dextrobupivacaine(1+) and levobupivacaine(1+). It contains a levobupivacaine(1+) and a dextrobupivacaine(1+). It is a conjugate acid of a bupivacaine.
The molecule C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O is L-rhamnonic acid. It is a conjugate acid of L-rhamnonate . It is also related to or classified as rhamnonic acid .