mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CC(C)[C@H]1CC=C2[C@]1(C)C[C@@]3([H])C45C(C)C3([C@H](CC[C@]5([C@H](CC4)C)[H])C)C2</smiles> is A sesterterpene that is produced by a sesterterpene synthase from Kitasatospora viridis. It has the role of bacterial metabolite.  It is also related to or classified as sesterterpene . It is also related to or classified as organic pentacyclic compound, polycyclic olefin.
The molecule <smiles>O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]2[C@H]([C@@H](O[C@H]([C@@H]2O)C)O[C@H]3[C@H]([C@@H](O[C@H]([C@@H]3O)C)OCCCCCN)O)O)O)O</smiles> is A trisaccharide derivative consisting of an alpha-L-rhamnosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl disaccharide unit. It is also related to or classified as glycoside . It is also related to or classified as trisaccharide derivative.
The molecule <smiles>CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](OC1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O</smiles> is A UDP-N-acetyl-mannosaminouronic acid in which the N-acetyl-mannosaminouronic acid fragment has D-configuration. Its functional parent is N-acetyl-D-mannosaminouronic acid. It is a conjugate acid of UDP-N-acetyl-D-mannosaminouronate(3-). It is also related to or classified as UDP-N-acetylmannosaminouronic acid.
The molecule <smiles>O1[C@](C(OC(=O)/C=C/C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)C1CO)(C3=C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)C=C(O)C5=C3OC(=CC5=O)C6=CC=C(O)C=C6)[H]</smiles> is Vitexin 7-O-glucoside 2''-p-coumarate. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C=C3)O)[O-])O</smiles> is an organic anion that is the conjugate base of (4S)-2,3-dehydroleucopelargonidin, obtained by deprotonation of the 3-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 organic anion.
The molecule <smiles>[Tc](=O)([O-])(=O)=O.[NH4+]</smiles> is Ammonium pertechnetate. It has the role of NMR chemical shift reference compound. It is also related to or classified as inorganic molecular entity.
The molecule <smiles>O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)C)O[C@H]2[C@H]([C@@H](O[C@H]([C@@H]2O)C)OCCCCCN)O)O</smiles> is A disaccharide derivative consisting of a beta-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a beta-L-rhamnosyl residue. It is also related to or classified as glycoside . It is also related to or classified as disaccharide derivative.
The molecule <smiles>NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1</smiles> is A 2-[(diphenylmethyl)sulfinyl]acetamide that has R configuration at the sulfur atom. Like its racemate, modafinil, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. Peak concentration in the blood later occurs later following administration than with modafinil, so it is thought that armodafinil may be more effective than modafinil in treating people with excessive daytime sleepiness. It has the role of central nervous system stimulant. It has the role of eugeroic. It is also related to or classified as 2-[(diphenylmethyl)sulfinyl]acetamide .
The molecule <smiles>CC(C)=CCCC([C@@]1([C@]2([C@H](CC[C@]2([C@@]3(CC[C@]13[H])C)[H])C)[H])[H])=C</smiles> is A diterpene that is produced by a multifunctional terpene synthase from Streptomyces xinghaiensis. It has the role of bacterial metabolite. It is also related to or classified as diterpene . It is also related to or classified as polycyclic olefin, tricyclic diterpenoid.
The molecule <smiles>C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C(=C3)O)O)[O-])O</smiles> is an organic anion that is the conjugate base of (4S)-2,3-dehydroleucocyanidin, obtained by deprotonation of the 3-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 organic anion.
The molecule <smiles>O=C(NN=C1CCCCC1)C(=O)NN=C2CCCCC2</smiles> is Cuprizon. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C([O-])=O</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the carboxy and diphosphate OH groups of UDP-N-acetyl-beta-D-mannosaminouronic acid; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion, carbohydrate acid derivative anion.
The molecule <smiles>O([C@@H]1C(O)[C@H](O)[C@H](OC1C)OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)[C@@H]5OC([C@@H](O)C(O)C5O)COC(=O)C</smiles> is Multiflorin A. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>O[C@H]1[C@H]([C@@H](O[C@H]([C@@H]1O)C)O[C@H]2[C@H]([C@@H](O[C@H]([C@@H]2O)C)OCCCCCN)O)O</smiles> is A disaccharide derivative consisting of two alpha-L-rhamnosyl residues linked (1->3) and at the reducing end linked glycosidically to a 5-aminopentyl group. It is also related to or classified as glycoside . It is also related to or classified as disaccharide derivative.
The molecule <smiles>S(C1=CC(C(C)(C)C)=C(OC(=O)CCC(O)=O)C(C(C)(C)C)=C1)C(SC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)(C)C</smiles> is Succinobucol. It is also related to or classified as phenols . It is also related to or classified as benzoate ester.
The molecule <smiles>CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12</smiles> is A member of the class of benzimidazoles that is the methyl ester of  [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamic acid. A foliar fungicide used to control a wide range of Ascomycetes and Fungi Imperfecti in a wide range of crops. It has the role of acaricide. It has the role of anthelminthic drug. It has the role of tubulin modulator. It has the role of microtubule-destabilising agent. It has the role of antifungal agrochemical. It is also related to or classified as aromatic amide, benzimidazole fungicide, benzimidazolylcarbamate fungicide, carbamate ester, benzimidazoles.
The molecule <smiles>[C@@]12(C([C@@]3(CC(CC[C@@]3([C@H](C1)O)C([O-])=O)(C)C)[H])=CC[C@]4([C@]2(CC[C@@]5([C@@]4(CC[C@@H](C5(C)C)O)C)[H])C)[H])C</smiles> is A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of cochalic acid. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>COc1cccc(CCCCCCCCCC2CC(=C)C(=O)O2)c1OC</smiles> is A butan-4-olide having a methylidene group at the 3-position and a 9-(2,3-dimethoxyphenyl)nonyl substituent at the 5-position. It is also related to or classified as butan-4-olide, dimethoxybenzene.
The molecule <smiles>[C@@]12(C([C@@]3(CC(CC[C@@]3([C@H](C1)O)C)(C)C)[H])=CC[C@]4([C@]2(CC[C@@]5([C@@]4(CC[C@@H](C5(C)C)O)C)[H])C)[H])C</smiles> is A pentacyclic triterpenoid that is olean-12-ene in which the hydrogens at the 3beta and 16beta positions have been replaced by hydroxy groups. It has the role of antitubercular agent. It has the role of plant metabolite. It is also related to or classified as diol . It is also related to or classified as pentacyclic triterpenoid.
The molecule <smiles>S(OC1=CC=C(\C=C\C(O)C2=C(O)C(OC3OC(C(O)C(O)C3O)CO)=C(O)C=C2O)C=C1)(O)(=O)=O</smiles> is {4-[(1E)-3-hydroxy-3-(2,4,6-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>C=12[C@]3(C)[C@@]([H])(CCC1C=C(C(=C2)O)C(C)C)C(C[C@@H](C3)O)(C)C</smiles> is A meroterpenoid that is ferruginol which has been substituted by an alpha-hydroxy group at position 6. It has the role of plant metabolite. Its functional parent is ferruginol. It is also related to or classified as abietane diterpenoid, carbotricyclic compound, meroterpenoid.
The molecule <smiles>C1CC([C@]2([C@](C1)(C3=C(CC2)C=C(C(=C3O)O)C(C)C)C(=O)[O-])[H])(C)C</smiles> is A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of carnosic acid. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion . It is also related to or classified as abietane diterpenoid, carbotricyclic compound.
The molecule <smiles>C=12[C@]3(C)[C@@]([H])(CCC1C=C(C(=C2O)O)C(C)C)C(CCC3)(C)C</smiles> is an abietane diterpenoid that is ferruginol in which the hydrogen ortho to the phenolic hydroxy group has been replaced by a hydroxy group. It has the role of plant metabolite. Its functional parent is ferruginol. It is also related to or classified as catechols . It is also related to or classified as abietane diterpenoid, carbotricyclic compound, meroterpenoid.
The molecule <smiles>C=1NC(=C(N1)C(=O)N)N=NN(C)C</smiles> is A monocarboxylic acid amide that is 1H-imidazole-4-carboxamide which is substituted at position 5 by a 3,3-dimethyltriaz-1-en-1-yl group. It is used for the treatment of metastatic malignant melanoma, and in combination with other drugs for the treatment of Hodgkin's disease and soft-tissue sarcoma. It has the role of alkylating agent. It has the role of antineoplastic agent. It has the role of prodrug. It has the role of carcinogenic agent.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as triazene derivative . It is also related to or classified as imidazoles.
The molecule <smiles>CN(C)\N=N\C1=C(N=CN1)C(N)=O</smiles> is A dacarbazine in which the N=N double bond adopts a trans-configuration. It is also related to or classified as dacarbazine .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(C)O</smiles> is A secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 2. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as pentacosanol.
The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(CCCCCC)O)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O</smiles> is A hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyoctanoic acid. Its functional parent is 2-hydroxyoctanoic acid. It is a conjugate acid of 2-hydroxyoctanoyl-CoA(4-). It is also related to or classified as hydroxy fatty acyl-CoA, medium-chain fatty acyl-CoA.
The molecule <smiles>CCOC(C[NH+]1CC[NH+](CC(C)C(=O)c2ccccc2)CC1)c1ccccc1</smiles> is an organic cation obtained by protonation of the two tertiary amino groups of eprazinone. It is a conjugate acid of eprazinone. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>[Cs+].[O-][N+]([O-])=O</smiles> is the inorganic nitrate salt of caesium. It has the role of NMR chemical shift reference compound. It is also related to or classified as inorganic caesium salt, inorganic nitrate salt.
The molecule <smiles>C(=O)(CCCCCCCC(O)=O)O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COCCCCCCCCCCCCCCCC</smiles> is A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and 8-carboxyoctanoyl respectively. It has the role of PPARgamma agonist. Its functional parent is nonanedioic acid. It is a conjugate acid of 1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine(1-). It is also related to or classified as oxidized 1-O-alkyl-2-acyl-sn-glycero-3-phosphocholine zwitterion .
The molecule <smiles>CC[C@@H](C)C[C@@H](C)\C=C(C)\C=C\C=C\C(O)=C1/C(=O)NC(C(O)c2ccc(O)cc2)C1=O</smiles> is militarinone B. It has the role of metabolite. It is also related to or classified as monoterpenoid.
The molecule <smiles>[O-]C(=O)COc1ccccc1</smiles> is A monocarboxylic acid anion that is the conjugate base of phenoxyacetic acid. It has the role of human xenobiotic metabolite. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>[C@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@H]3[C@H]([C@@H](O[C@H]([C@@H]3O)C)O[C@H]4[C@H]([C@@H](O[C@H]([C@@H]4O)C)OCCCCCN)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(O)=O)O)O)O)O)O)O)O)O</smiles> is A branched hexasaccharide derivative consisting of a linear tetrasaccharide unit of beta-L-rhamnose, beta-D-glucose, and two alpha-L-rhamnose residues, linked sequentially (1->4), (1->3) and (1->3), to the non-reducing-end alpha-L-rhamnose residue is also linked (1->2) an alpha-D-glucuronosyl-(1->6)-alpha-D-glucosyl disaccharide branch, the whole linked glycosidically to a 5-aminopentyl group. It is also related to or classified as glycoside . It is also related to or classified as hexasaccharide derivative.
The molecule <smiles>N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O</smiles> is hexanoic acid with four hydroxy groups at C-3, C-4, C-5, C-6, and an amino group at C-2. It has the role of bacterial metabolite. Its functional parent is D-gluconic acid. It is a conjugate acid of 2-amino-2-deoxy-D-gluconate. It is also related to or classified as gluconic acid derivative.
The molecule <smiles>OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl</smiles> is A disaccharide derivative consisting of 4-chloro-4-deoxy-alpha-D-galactopyranose and 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose units linked by a glycosidic bond. It has the role of xenobiotic. It has the role of sweetening agent. It has the role of environmental contaminant. It is also related to or classified as organochlorine compound . It is also related to or classified as disaccharide derivative.
The molecule <smiles>B(OB=O)=O</smiles> is A boron oxide with formula B2O3. It is also related to or classified as boron oxide.
The molecule <smiles>O[C@@H]([C@H](O)C(=O)COP(O)(=O)O)COP(O)(=O)O</smiles> is A xylulose phosphate that is D-xylulose carrying two phospho groups at positions 1 and 5. It has the role of EC 4.1.1.39 (ribulose-bisphosphate carboxylase) inhibitor. Its functional parent is D-xylulose. It is a conjugate acid of D-xylulose 1,5-bisphosphate(4-). It is also related to or classified as xylulose phosphate.
The molecule <smiles>[Pd-2](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+]</smiles> is Potassium hexachloropalladate(IV). It has the role of NMR chemical shift reference compound. It is also related to or classified as inorganic potassium salt.
The molecule <smiles>C1(=CC=C(CN)C=C1)S(=O)(=O)N.C=1(S(NC(N)=S)(=O)=O)C=CC(N)=CC1</smiles> is Sulfatolamide.  It is also related to or classified as sulfonamide . It is also related to or classified as benzenes.
The molecule <smiles>CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl</smiles> is thiamphenicol. It has the role of antimicrobial agent. It has the role of immunosuppressive agent. It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as sulfone .
The molecule <smiles>C([C@@H](N)CSN=O)(=O)O</smiles> is an L-cysteine derivative in which the sulfur atom carries a nitroso substituent.  A cell-permeable low-molecular-weight nitrosothiol and nitric oxide donor. It has the role of vasodilator agent. It has the role of hematologic agent. It has the role of platelet aggregation inhibitor. It is also related to or classified as nitrosothio compound . It is also related to or classified as L-cysteine derivative.
The molecule <smiles>CCCCCCCCCCCCC(O)CCCCCCCCCCCC</smiles> is A secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 13. It has the role of anxiolytic drug. It has the role of animal metabolite. It has the role of plant metabolite. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as pentacosanol.
The molecule <smiles>CC(C1=C2CC3[C@@]4(CC[C@@H]([C@]3(C[C@@]2(C)CC1)[H])C)[C@@H](C)CCC=C4C)C</smiles> is A sesterterpene that is produced by a sesterterpene synthase from Streptomyces violens. It has the role of bacterial metabolite.  It is also related to or classified as sesterterpene . It is also related to or classified as organic tetracyclic compound, polycyclic olefin.
The molecule <smiles>OC(CNC([C@@H](NC(CCC(C(O)=O)=O)=O)CS)=O)=O</smiles> is A dipeptide that is glutathione in which the amino group on the glutamyl residue has been replaced by an oxo group. Its functional parent is glutathione. It is a conjugate acid of N-(4-oxoglutaryl)-L-cysteinylglycine(2-). It is also related to or classified as dipeptide .
The molecule <smiles>C(=N)(NCCC[C@@H](C(=O)O)N)NN=O</smiles> is an L-arginine derivative in which one of the omega-nitrogen atoms carries a nitroso substituent. It is also related to or classified as L-arginine derivative.
The molecule <smiles>NC(=O)C[S@](=O)C(c1ccccc1)c1ccccc1</smiles> is A 2-[(diphenylmethyl)sulfinyl]acetamide that has S configuration at the sulfur atom. The racemate comprising (S)-modafinil and its enantiomer, armodafinil, is known as modafinil and is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The enantiomers have similar pharmacological actions in animals. It has the role of central nervous system stimulant. It has the role of eugeroic. It is also related to or classified as 2-[(diphenylmethyl)sulfinyl]acetamide .
The molecule <smiles>[Na+].CC1=C(C([O-])=O)C2=C(C=CC(F)=C2)N=C1C1=CC=C(C=C1)C1=CC=CC=C1F</smiles> is an organic sodium salt of brequinar. It has the role of anticoronaviral agent. It has the role of antiviral agent. It has the role of antimetabolite. It has the role of antineoplastic agent. It has the role of immunosuppressive agent. It has the role of pyrimidine synthesis inhibitor. It has the role of EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor. It is also related to or classified as organic sodium salt.
The molecule <smiles>C1(=CN(C2=C1C=CC=C2)N=O)C[C@@H](C(=O)O)N</smiles> is an L-tryptophan derivative in which the indolyl ring nitrogen carries a nitroso substituent. It is also related to or classified as L-tryptophan derivative.
The molecule <smiles>O=C1N[C@H](C(=O)N[C@H]1CC2=CC=C(O)C=C2)CO</smiles> is (3S,6S)-3-(4-Hydroxybenzyl)-6-(hydroxymethyl)-2,5-piperazinedione. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>[NH3+][C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C([O-])=O</smiles> is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 2-amino-2-deoxy-D-gluconic acid; major species at pH 7.3. It is a conjugate acid of 2-amino-2-deoxy-D-gluconate. It is also related to or classified as amino-acid zwitterion.
The molecule <smiles>O1C(=O)C=2C3=C(C=CC2C4=CC=C(O)C=C4)C=CC=C3C1=O</smiles> is 2-(4-Hydroxyphenyl)naphthalic anhydride. It is also related to or classified as benzenes, naphthalenes, ring assembly.
The molecule <smiles>N(CCOP(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)O)C(=O)CCCCCCC/C=C\CCCCCCCC</smiles> is an N-oleoylphosphatidylethanolamine in which the acyl groups at positions 1 and 2 are both specified as heptadecanoyl. Its functional parent is heptadecanoic acid. It is a conjugate acid of N-oleoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCCCCCCCCCCCCCCCCCC(O)CCCCCC</smiles> is A secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 7. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as pentacosanol.
The molecule <smiles>O(O)C(CCCCCCCC(O)=O)/C=C/C=C\CCCCC</smiles> is (10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid. It is also related to or classified as hydroperoxy polyunsaturated fatty acid . It is also related to or classified as octadecadienoic acid.
The molecule <smiles>[H]C12CC3(C)C(=O)C4(C)CC1(CCC1([H])C2(C)C=CC(=O)OC1(C)C)C31COC(=O)C1C4O</smiles> is A meroterpenoid with formula C25H32O6. It is isolated from the fungus Aspergillus stellatus. It has the role of marine metabolite. It has the role of Aspergillus metabolite. It is also related to or classified as secondary alcohol . It is also related to or classified as gamma-lactone . It is also related to or classified as cyclic ketone, epsilon-lactone, organic heterohexacyclic compound, meroterpenoid.
The molecule <smiles>N(C(CCCCCCCCCCCCCCC)=O)CCOP(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)O</smiles> is an N-hexadecanoylphosphatidylethanolamine in which the acyl groups at positions 1 and 2 are both specified as heptadecanoyl. Its functional parent is heptadecanoic acid. It is a conjugate acid of N-hexadecanoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-hexadecanoylphosphatidylethanolamine .
The molecule <smiles>OC(=O)C1=CC2=CC(O)=C(O)C=C2N1</smiles> is A dihydroxyindole that is indole-2-carboxylic acid substituted by hydroxy groups at positions 5 and 6. It has the role of mouse metabolite. It is a conjugate acid of 5,6-dihydroxyindole-2-carboxylate. It is also related to or classified as dihydroxyindole.
The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O</smiles> is 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are both specified as heptadecanoyl. Its functional parent is heptadecanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>C(CN)OP(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)O</smiles> is 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as heptanoyl and hexanoyl respectively. Its functional parent is hexanoic acid. Its functional parent is heptanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>[H][B-]([H])[H]</smiles> is trihydridoborate(.1-). It is also related to or classified as boron hydride, inorganic radical anion.
The molecule <smiles>O1C=2C3=C(C(O)=C1C=4C=C(OC)C(O)=C(O)C4)C=C(OC3=CC(=[OH+])C2)C5=CC=C(O)C=C5</smiles> is 7-(3,4-dihydroxy-5-methoxyphenyl)-6,11-dihydroxy-3-(4-hydroxyphenyl)-2?,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),2,4,6,9,11-hexaen-2-ylium. It is also related to or classified as ether . It is also related to or classified as flavonoids.
The molecule <smiles>C(CN)OP(OC[C@@H](COC(CCCCC)=O)OC(=O)CCCCC)(=O)O</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are both specified as hexanoyl. Its functional parent is hexanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>[O-]C(=O)C1=CC2=CC(=O)C(=O)C=C2N1</smiles> is an indolecarboxylate that is the conjugate base of indole-5,6-quinone-2-carboxylic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. Its functional parent is 5,6-dihydroxyindole-2-carboxylate. It is also related to or classified as indolecarboxylate.
The molecule <smiles>COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1</smiles> is A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. It has the role of antimicrobial agent. It has the role of antiinfective agent. It has the role of xenobiotic. It has the role of environmental contaminant. It has the role of drug allergen. Its functional parent is sulfanilamide.     It is also related to or classified as sulfonamide . It is also related to or classified as aromatic ether, pyrimidines, substituted aniline, sulfonamide antibiotic.