anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@@]44C[C@@]34CC[C@]12C)[C@H](C)C\C=C\C(C)(C)O [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@@]44C[C@@]34CC[C@]12C)[C@H](C)C\C=C\C(C)(C)O is cycloart-23-ene-3beta,25-diol. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(O)=O CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(O)=O is A thirty-two membered mycolic acid consisting of 3-hydroxystearic acid having a tetradecyl group at the 2-position.  It is also related to or classified as 3-hydroxy fatty acid  . It is also related to or classified as mycolic acid .
The molecule C(NC(CCNC(=O)[C@@H](C(COP(OC[C@@H](C(O)=O)N)(=O)O)(C)C)O)=O)CS C(NC(CCNC(=O)[C@@H](C(COP(OC[C@@H](C(O)=O)N)(=O)O)(C)C)O)=O)CS is A serine derivative in which L-serine is substituted on oxygen by a pantetheine 4'-phosphate group. It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-serine derivative .
The molecule COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O is an anthocyanin cation that is malvidin carrying two beta-D-glucosyl residues at positions 3 and 5. It has a role as a biological pigment and a metabolite. It is an anthocyanin cation and a beta-D-glucoside. It derives from a malvidin.
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O is a disaccharide that is D-mannitol in which the hydroxy group at position 2 has been converted into its alpha-D-galactopyranoside It derives from a D-mannitol.
The molecule OC(=O)C[C@@H]1NC(=O)NC1=O OC(=O)C[C@@H]1NC(=O)NC1=O is an imidazolidine-2,4-dione having a carboxymethyl group at the 5-position. Its functional parent is hydantoin . It is a conjugate acid of L-5-carboxylatomethylhydantoin(1-) . It is also related to or classified as imidazolidine-2,4-dione .
The molecule CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C/C)C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)OC(=O)N)O)O)O)OC)/C)C)O is a concanamycin in which the lactone ring contains 4 double bonds and is substituted by 4 methyl groups, 2 hydroxy groups, 2 methoxy groups and an ethyl group. It has a role as an antifungal agent, a metabolite and an EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor. It is a concanamycin and a carbamate ester.
The molecule [H][C@]1(CC[C@]2(C)[C@]([H])(CC[C@]3([H])[C@@]4([H])[C@@H]([C@@H](O)C[C@]4(C)CC[C@@]23C)C(C)=C)[C@@]1(C)CCC(O)=O)C(C)=C [H][C@]1(CC[C@]2(C)[C@]([H])(CC[C@]3([H])[C@@]4([H])[C@@H]([C@@H](O)C[C@]4(C)CC[C@@]23C)C(C)=C)[C@@]1(C)CCC(O)=O)C(C)=C is lippiolic acid. It has the role of metabolite . It is also related to or classified as steroid acid .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H]1NC(C)=O)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)[C@H](O)[C@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H]1NC(C)=O)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)[C@H](O)[C@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO is A sialoheptaosylceramide where the sialoheptaosyl portion contains three sialic acid residues. It is a conjugate acid of alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(3-) . It is also related to or classified as alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer  .
The molecule CC1=C(O)C[C@@H](CC([O-])=O)C1(C)C CC1=C(O)C[C@@H](CC([O-])=O)C1(C)C is A hydroxy monocarboxylic acid anion that is the conjugate base of [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule C1CNC[C@@H]([NH2+]1)C(=O)[O-] is zwitterionic form of (R)-piperazine-2-carboxylic acid having an anionic carboxy group and a protonated 1-amino group. It is a conjugate acid of a (R)-piperazine-2-carboxylate. It is a tautomer of a (R)-piperazine-2-carboxylic acid.
The molecule CC1(CC(C(=O)O1)COS(=O)(=O)C)C is a butan-4-olide having a mesyloxymethyl group at the 3-position and two methyl substituents at the 5-position. It is a butan-4-olide and a methanesulfonate ester.
The molecule OC1=C(CN(CC2=CC=CC=C2)C1=O)C(OCC)=O OC1=C(CN(CC2=CC=CC=C2)C1=O)C(OCC)=O is Ethyl 1-benzyl-3-hydroxy- 2-oxo[5H]pyrrole-4-carboxylate. It is also related to or classified as pyrroline  . It is also related to or classified as carboxylic acid  .
The molecule [H][C@]1(CC[C@]2(C)[C@]([H])(CC[C@]3([H])[C@@]4([H])[C@@H](OC(=O)C[C@]4(C)CC[C@@]23C)C(C)=C)[C@@]1(C)CCC(O)=O)C(C)=C [H][C@]1(CC[C@]2(C)[C@]([H])(CC[C@]3([H])[C@@]4([H])[C@@H](OC(=O)C[C@]4(C)CC[C@@]23C)C(C)=C)[C@@]1(C)CCC(O)=O)C(C)=C is lippiolidolic acid. It has the role of metabolite . It is also related to or classified as diterpene lactone .
The molecule CC[C@@H](C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CC[C@@H](C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is an acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxy groups of (2S)-ethylmalonyl-CoA. It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-)  . It is also related to or classified as carboxylic acid anion  . It is also related to or classified as omega-carboxyacyl-CoA(5-)  .
The molecule FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 is 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection. It has the role of antiviral drug . It has the role of HIV-1 reverse transcriptase inhibitor . It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  .   It is also related to or classified as acetylenic compound  . It is also related to or classified as benzoxazine , cyclopropanes .
The molecule CC1(C)C2CC(=O)C1(C)C(=O)C2 CC1(C)C2CC(=O)C1(C)C(=O)C2 is A diketone that is bornane bearing two oxo substituents at positions 2 and 6. It is also related to or classified as diketone  .
The molecule CCCCCC/C=C\\CCCCCCCCC(=O)O is the cis-isomer of 10-heptadecenoic acid. It has a role as a plant metabolite. It is a conjugate acid of a (10Z)-heptadecenoate.
The molecule CC(CCCCCCCCC(=O)O)O is an (omega-1)-hydroxy fatty acid that is undecanoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid and a medium-chain fatty acid.
The molecule C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] is A sphingomyelin 38:1 obtained by formal condensation of the carboxy group of henicosanoic acid with the amino group of 14-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is henicosanoic acid . Its functional parent is 14-methylhexadecasphingosine . It is also related to or classified as sphingomyelin 38:1  .
The molecule [H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)[C@@]5(O)CC[C@]34CO5)[C@]1(C)CC[C@@]1(C)CC(=O)O[C@@H](C(C)=C)[C@]21[H] [H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)[C@@]5(O)CC[C@]34CO5)[C@]1(C)CC[C@@]1(C)CC(=O)O[C@@H](C(C)=C)[C@]21[H] is lippiolide. It has the role of metabolite . It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CC[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of (2S)-ethylmalonic acid. Its functional parent is ethylmalonic acid . It is a conjugate acid of (S)-ethylmalonyl-CoA(5-) . It is also related to or classified as omega-carboxyacyl-CoA  .
The molecule C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] is A sphingomyelin 41:1 obtained by formal condensation of the carboxy group of tetracosanoic acid with the amino group of 14-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is tetracosanoic acid . Its functional parent is 14-methylhexadecasphingosine . It is also related to or classified as sphingomyelin 41:1  .
The molecule CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](COP(O)(=O)OCC(O)CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@H]1O CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](COP(O)(=O)OCC(O)CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@H]1O is A polyprenyl phospho oligosaccharide where 6-O-(1-glycerylphospho)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl comprises the oligosaccharide component and the polyprenyl chain consists of eleven prenyl units. It is a conjugate acid of 6-O-(1-glycerylphosphonato)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl undecaprenyl diphosphate(3-) . It is also related to or classified as polyprenyl phospho oligosaccharide .
The molecule [O-]C(=O)c1ccc(cc1)C([O-])=O [O-]C(=O)c1ccc(cc1)C([O-])=O is A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of terephthalic acid. It is also related to or classified as dicarboxylic acid dianion  .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)[O-])O)C4=CC=C(C=C4)O)O)O)O is an organic anion obtained by selective deprotonation of the 7-hydroxy group of kaempferol 3-O-beta-D-xyloside; major species at pH 7.3. It is a conjugate base of a kaempferol 3-O-beta-D-xyloside.
The molecule CCCCCC(/C=C/C=C\\C/C=C\\C/C=C\\CCCC(=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)O is a polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 15-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl-CoA; major species at pH 7.3. It is a long-chain fatty acyl-CoA(4-) and a polyunsaturated fatty acyl-CoA(4-). It is a conjugate base of a 15-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl-CoA.
The molecule C([C@@H](N)[C@@H](O)C=1C=CC=CC1)(=O)O C([C@@H](N)[C@@H](O)C=1C=CC=CC1)(=O)O is A L-phenylalanine derivative carrying a hydroxy substituent at position 3. It has the role of metabolite . It is also related to or classified as L-phenylalanine derivative .
The molecule COc1cc2C(=O)c3c(C)ccnc3-c2cc1O COc1cc2C(=O)c3c(C)ccnc3-c2cc1O is 8-Hydroxy-7-methoxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one. It has the role of metabolite . It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule O.[Cl-].[Cl-].CC[NH+](CC)CCNC(=O)c1cc(Cl)c([NH3+])cc1OC O.[Cl-].[Cl-].CC[NH+](CC)CCNC(=O)c1cc(Cl)c([NH3+])cc1OC is A hydrate that is the monohydrate form of metoclopramide dihydrochloride. It has the role of dopaminergic antagonist . It has the role of antiemetic . It has the role of gastrointestinal drug . It is also related to or classified as hydrate , hydrochloride .
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)[O-])O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as stearoyl. It is a conjugate base of a 1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine.
The molecule C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O)O.[Fe] is an Fe(III)-complexed hydroxamate siderophore consisting of norcardamine (desferrioxamine E) complexed to iron(III). It has a role as a bacterial metabolite. It contains an iron(3+) and a desferrioxamine E(3-).
The molecule N[C@@H](CC(=O)OP(O)(O)=O)C(O)=O N[C@@H](CC(=O)OP(O)(O)=O)C(O)=O is the 4-phospho derivative of L-aspartic acid. It has the role of Escherichia coli metabolite . It is a conjugate acid of 4-phospho-L-aspartate . It is a conjugate acid of 4-phosphonato-L-aspartic acid(2-) . It is also related to or classified as aminoacyl phosphate , non-proteinogenic L-alpha-amino acid , L-aspartic acid derivative .
The molecule CC(=CCC1=C(C=CC(=C1)C2=CC(=C3C4=CC(=C(C=C4OC3=C2OC)O)O)OC)O)C is a member of the class of dibenzofurans that is candidusin A substituted by a prenyl group at position 3 of the phenyl ring substituent. It has been isolated from Aspergillus taichungensis. It has a role as an antineoplastic agent and an Aspergillus metabolite. It is an aromatic ether, a member of catechols and a member of dibenzofurans. It derives from a candidusin A.
The molecule CC(C)=CCc1cccc2[nH]cc(C[C@H](N)C(O)=O)c12 CC(C)=CCc1cccc2[nH]cc(C[C@H](N)C(O)=O)c12 is 4-(3-methylbut-2-enyl)-L-tryptophan. It is also related to or classified as L-tryptophan derivative , non-proteinogenic L-alpha-amino acid .
The molecule Oc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1O Oc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1O is bromophene. It has the role of metabolite .  It is also related to or classified as organobromine compound  . It is also related to or classified as biphenyls .
The molecule Nc1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O Nc1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O is A dicarboxylic acid dianion which results from the removal of a proton from each of the carboxylic acid groups of N-(4-aminobenzoyl)-L-glutamic acid. It is also related to or classified as dicarboxylic acid dianion  .
The molecule C[C@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4[C@@H]([C@H]1C)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3 is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura interior and has been shown to exhibit anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is a lignan, an oxacycle, an aromatic ether, a benzoate ester and an organic heteropentacyclic compound.
The molecule C[N+](C)(C)CCOS(=O)(=O)O is a quaternary ammonium ion and a member of choline sulfates. It is a conjugate acid of a choline sulfate.
The molecule NC(COP(O)(O)=O)C(O)=O NC(COP(O)(O)=O)C(O)=O is A serine derivative that is serine substituted at the oxygen atom by a phosphono group. It has the role of human metabolite . It is a conjugate acid of O-phosphonatooxyserine(2-) . It is also related to or classified as O-phosphoamino acid , serine derivative , non-proteinogenic alpha-amino acid .
The molecule O1C(C(O)C(O)C(O)C1OC2=C(O)C=C(C=C2)C=3OC4=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=CC(O)=C4C(=O)C3)CO O1C(C(O)C(O)C(O)C1OC2=C(O)C=C(C=C2)C=3OC4=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=CC(O)=C4C(=O)C3)CO is Luteolin 4'-glucoside 7-galacturonide. It is also related to or classified as glucosiduronic acid , flavonoids .
The molecule CCC[C@@H](C)N[C@@H](C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)[C@@H](N)N[C@H](C)CCC)N is a substituted diphenylfuran in which two amino[(1-methylbutyl)amino]methyl substituents are located at the two para-positions on the phenyl rings. It is a substituted diphenylfuran and an aminal. It derives from a hydride of a 2,5-diphenylfuran.
The molecule Oc1c(Br)cc(Br)cc1-c1[nH]c(Br)c(Br)c1Br Oc1c(Br)cc(Br)cc1-c1[nH]c(Br)c(Br)c1Br is pentabromopseudilin. It has the role of metabolite . It is also related to or classified as pyrroles .
The molecule [Cl-].C[NH+](C)CCOC(c1ccccc1)c1ccccc1C [Cl-].C[NH+](C)CCOC(c1ccccc1)c1ccccc1C is A hydrochloride comprising equimolar amounts of ophenadrine and hydrogen chloride. It has the role of H1-receptor antagonist . It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It has the role of parasympatholytic . It has the role of muscle relaxant . It has the role of NMDA receptor antagonist . It is also related to or classified as hydrochloride .
The molecule C[C@@H]1[C@H](C(=O)C2=C(C=CC=C2O1)O)O is a chromanone that is 2,3-dihydro-4H-chromen-4-one substituted by hydroxy groups at positions 3 and 5 and a methyl group at position 2 (the 2R,3R stereoisomer). Isolated form the endophytic fungus Microdiplodia species, it exhibits antibacterial activity. It has a role as an antibacterial agent and a fungal metabolite. It is a member of phenols, a secondary alcohol, a chromanone and a secondary alpha-hydroxy ketone.
The molecule CC(C)=C1CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C1 CC(C)=C1CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C1 is A fourteen-membered macrocyclic diterpene consisting of 12-isopropylidene-1,5,9-trimethylcyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9. It has the role of bacterial metabolite . It is also related to or classified as diterpene  . It is also related to or classified as cycloalkatriene  . It is also related to or classified as macrocycle  .
The molecule CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O is a carboxylic ester that results from the formal condensation between caprylic acid and the hydroxy group at position 6 of the glucosyl residue of sucrose. It derives from a sucrose.
The molecule Oc1ccc(Br)cc1-c1cc(Br)cc(Br)c1O Oc1ccc(Br)cc1-c1cc(Br)cc(Br)c1O is 4,4',6-Tribromo-2,2'-biphenol. It has the role of metabolite .  It is also related to or classified as organobromine compound  . It is also related to or classified as biphenyls .
The molecule Cc1nc2c([nH]c(=O)[nH]c2=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c1=O Cc1nc2c([nH]c(=O)[nH]c2=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c1=O is A D-ribityl derivative of pteridine that is a potent inhibitor of riboflavin synthetase. It has the role of EC 2.5.1.9 (riboflavin synthase) inhibitor . Its functional parent is ribitol . Its functional parent is lumazine . It is a conjugate acid of 6-methyl-7-oxo-8-(1-D-ribityl)lumazine (2-oxo tautomer)(1-) . It is also related to or classified as pteridines .
The molecule N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H](CC(O)=O)C(O)=O N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H](CC(O)=O)C(O)=O is A D-glucosaminide having (S)-malyl as the anomeric substituent and alpha-configuration at the anomeric centre. Its functional parent is (S)-malic acid . It is also related to or classified as D-glucosaminide  . It is also related to or classified as monosaccharide derivative .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\CC/C=C/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 is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,4E,8Z,11Z,14Z)-icosapentaenoic acid. It is a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4-).
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC is an ammonium ion that is the conjugate acid of (S)-1,2-distearoylphosphatidylethanolamine, arising from protonation of the amino group. It is a conjugate acid of (S)-1,2-distearoylphosphatidylethanolamine . It is also related to or classified as 1,2-distearoylphosphatidylethanolaminium  .
The molecule C([C@@H](C(=O)[O-])[NH3+])/C(=C\\C(=O)C(=O)O)/C=C\\[O-] is conjugate base of 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde having anjionic carboxy groups and a protonated primary amine; major species at pH 7.3. It is a conjugate base of a 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde.
The molecule Brc1cc(Br)c2oc3c(Br)c(Br)[nH]c3c2c1 Brc1cc(Br)c2oc3c(Br)c(Br)[nH]c3c2c1 is 2,3,5,7-Tetrabromobenzofuro[3,2-b]pyrrole. It has the role of metabolite . It is also related to or classified as benzofurans .
The molecule COc1c(O)cc(C)c(O)c1OC COc1c(O)cc(C)c(O)c1OC is the ubiquinol corresponding to ubiquinone-0. It is also related to or classified as ubiquinol  .
The molecule CCCCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO CCCCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO is A cationic sphingoid obtained by protonation of the amino group of C20 sphinganine; major species at pH 7.3. It is a conjugate acid of C20 sphinganine . It is also related to or classified as sphingoid base(1+)  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(O)=O CCCCCCCCCCCCCCCCCCCCCCCC(O)=O is A C24 straight-chain saturated fatty acid. It has the role of volatile oil component . It has the role of plant metabolite . It has the role of human metabolite . It has the role of Daphnia tenebrosa metabolite . It is a conjugate acid of tetracosanoate . It is also related to or classified as very long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .
The molecule CCC(CCC1=CC=CC=C1)N is a phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 3-aminopentyl group. It is a member of benzenes, a phenylalkylamine and a primary amino compound.
The molecule O1C2(O)C(C3C(C4(C(CC3)CC5=C4NC=6C5=CC=CC6)C)(CC2)C)=CC(=O)C1C(O)(C)C O1C2(O)C(C3C(C4(C(CC3)CC5=C4NC=6C5=CC=CC6)C)(CC2)C)=CC(=O)C1C(O)(C)C is 14alpha-Hydroxy-4beta-deoxypaxilline. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1=NC2=C(N1[C@H]3[C@@H]([C@@H](C(O3)COP(=O)(O)OP(=O)(O)OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)NC(=N6)N)[S-])[S-])O)O)N=C(NC2=O)N.C1=NC2=C(N1[C@H]3[C@@H]([C@@H](C(O3)COP(=O)(O)OP(=O)(O)OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)NC(=N6)N)[S-])[S-])O)O)N=C(NC2=O)N.[Mo+4] is a molybdopterin dinucleotide and a Mo-molybdopterin cofactor. It is a conjugate acid of a bis(molybdopterin guanine dinucleotide)molybdenum(4-).
The molecule Nc1ccccc1C(=O)CC(=O)C(O)=O Nc1ccccc1C(=O)CC(=O)C(O)=O is 4-(2-aminophenyl)-2,4-dioxobutanoic acid. It has the role of mouse metabolite . Its functional parent is butyric acid . It is a conjugate acid of 4-(2-aminophenyl)-2,4-dioxobutanoate . It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as 4-oxo monocarboxylic acid , dioxo monocarboxylic acid , substituted aniline , beta-diketone , aromatic ketone .
The molecule [H][C@]1(O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)Oc1ccc(cc1)C(O)=O [H][C@]1(O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)Oc1ccc(cc1)C(O)=O is 4-hydroxybenzoic acid 4-(6-O-sulfo)glucopyranoside. It has the role of metabolite . It is also related to or classified as L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo  .
The molecule OC(=O)CN(CC(O)=O)c1ccc(Br)cc1OCCOc1cc(Br)ccc1N(CC(O)=O)CC(O)=O OC(=O)CN(CC(O)=O)c1ccc(Br)cc1OCCOc1cc(Br)ccc1N(CC(O)=O)CC(O)=O is A polyamino carboxylic acid, the structure of which is that of BAPTA carrying bromine substituents at C-5 and C-5'. It has the role of chelator . Its functional parent is BAPTA . It is also related to or classified as polyamino carboxylic acid .