anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)C(O)(C)C5C1=CC(C)(C)C5 O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)C(O)(C)C5C1=CC(C)(C)C5 is Stereumamide D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(C(CS)C(=O)[O-])S is a monocarboxylic acid anion that is the conjugate base of 3-mercapto-2-mercaptomethylpropanoic acid; major species at pH 7.3. It is a conjugate base of a 3-mercapto-2-mercaptomethylpropanoic acid.
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCC([O-])=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCC([O-])=O is A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#24, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy fatty acid ascaroside anion .
The molecule C(CC)(/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O C(CC)(/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O is A hydroxyicosapentaenoic acid that consists of 5Z,8Z,11Z,14Z,16E-icosapentaenoic acid with the hydroxy group located at position 18. It has the role of human xenobiotic metabolite . It is a conjugate acid of 18-HEPE(1-) . It is also related to or classified as HEPE .
The molecule CC[NH+](CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O is an ammonium ion resulting from the protonation of the tertiary amino group of lycanthone. It is a conjugate acid of a hycanthone.
The molecule CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C is an organic anion that is the conjugate base of novobiocin. It is also related to or classified as organic anion .
The molecule O=C1C(=C[C@@H](O)[C@@H]([C@H]1OC(=O)C2=CC(O)=CC=C2)O)CO O=C1C(=C[C@@H](O)[C@@H]([C@H]1OC(=O)C2=CC(O)=CC=C2)O)CO is Nigrospoxydon C. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule NC(=O)N[C@@H]1NC(=O)NC1=O NC(=O)N[C@@H]1NC(=O)NC1=O is an optically active form of allantoin having (R)-(-)-configuration. It has the role of mouse metabolite . It is also related to or classified as allantoin  .
The molecule C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N is a nucleoside analogue that is adenosine in which the nitrogen at position 7 is replaced by a carbamoyl-substituted carbon. It is a potent inhibitor of protein kinase C. It has a role as a protein kinase inhibitor. It derives from an adenosine.
The molecule ClC=1C(=O)C2=C(O)C=CC(=C2[C@@]3(C1C=C(OC3)C(=O)NC4=C(O)CCC4=O)O)Cl ClC=1C(=O)C2=C(O)C=CC(=C2[C@@]3(C1C=C(OC3)C(=O)NC4=C(O)CCC4=O)O)Cl is (-)-Oryzanaphthopyran A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1C(C(O)C(O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C1OC=3C=C4OC=C(C(=O)C4=C(O)C3)C5=CC=C(O)C=C5)CO O1C(C(O)C(O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C1OC=3C=C4OC=C(C(=O)C4=C(O)C3)C5=CC=C(O)C=C5)CO is Genistein 7-O-(2-p-coumaroylglucoside). It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule O1[C@H]2C=Cc3ccccc3[C@@H]12 O1[C@H]2C=Cc3ccccc3[C@@H]12 is A naphthalene 1,2-oxide (the 1R,2S-stereoisomer). It has the role of mouse metabolite . It is also related to or classified as naphthalene 1,2-oxide  .
The molecule CC(=O)O[Pb]OC(=O)C is a lead coordination entity in which a central lead(2+) atom is coordinated to two acetate ions. It has a role as an insecticide. It contains a lead(2+).
The molecule CC(=CCC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of trans,polycis-decaprenyl phosphate; major species at pH 7.3. It is a conjugate base of a trans,polycis-decaprenyl phosphate.
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#23-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccccc1 CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccccc1 is tetraanion of (E)-cinnamoyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups. It is also related to or classified as acyl-CoA(4-)  .
The molecule CC(C)C(=O)NCC(=O)O is an N-acylglycine in which the acyl group is specified as isobutryl. It has a role as a human urinary metabolite. It is a conjugate acid of a N-isobutyrylglycinate.
The molecule O=C/1N2[C@@H](CCC2)C(\C1=C(\O)/C=C/[C@H]3[C@@]4(C=C([C@H](C)[C@]5([C@H]([C@@H]3C(=C5)C)C(=C4)C)C)C)C)=O O=C/1N2[C@@H](CCC2)C(\C1=C(\O)/C=C/[C@H]3[C@@]4(C=C([C@H](C)[C@]5([C@H]([C@@H]3C(=C5)C)C(=C4)C)C)C)C)=O is PF1018. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , cyclic ketone .
The molecule C[C@@H](O)CN C[C@@H](O)CN is A 1-aminopropan-2-ol that has R-configuration. It is also related to or classified as 1-aminopropan-2-ol  .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)/C=C/C5=CC=C(O)C=C5 O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)/C=C/C5=CC=C(O)C=C5 is Terniflorin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F is N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCCCN)N is an oligopeptide composed of L-lysine, L-threonine, L-tryptophan, glycine, L-asparagine, L-leucine, L-valine and L-alanine joined in sequence by peptide linkages; synthetic variant K9A of the yellow fever specific peptide epitope K9F.
The molecule O.OP(O)(O)=O.C1CNCCN1 O.OP(O)(O)=O.C1CNCCN1 is piperazine phosphate. It is also related to or classified as organoammonium phosphate , piperazinium salt .
The molecule C(C1=CC=CC=C1)(C2=CC=CC=C2)O C(C1=CC=CC=C1)(C2=CC=CC=C2)O is A secondary alcohol that is  diphenylmethane which carries a hydroxy group at position 1. It has the role of human xenobiotic metabolite . It has the role of bacterial xenobiotic metabolite . It has the role of human urinary metabolite . It has the role of rat metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as benzyl alcohols .
The molecule O1[C@]23[C@]4([C@@]5(C([C@@]2([C@@]([C@@H](O)C=C3)(C1=O)C)[H])C(O)=O)C[C@@](O)(CC4)C(C5)=C)[H] O1[C@]23[C@]4([C@@]5(C([C@@]2([C@@]([C@@H](O)C=C3)(C1=O)C)[H])C(O)=O)C[C@@](O)(CC4)C(C5)=C)[H] is (1R,2R,5S,8S,10R,11S,12S)-5,12-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O is a piperidine-based anti-histamine compound. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is a member of piperidines and a tertiary amine. It derives from an isobutyric acid.
The molecule [Na+].O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)NCC([O-])=O)C)[H])[H])C.O [Na+].O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)NCC([O-])=O)C)[H])[H])C.O is Glycocholic acid sodium salt hydrate. It is also related to or classified as bile acid glycine conjugate .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#23. Its functional parent is oscr#23 . It is a conjugate acid of oscr#23-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O is a long-chain fatty aldehyde resulting from the formal oxidation of the hydroxy group of dotriacontan-1-ol. It has a role as a plant metabolite. It is a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde. It derives from a dotriacontane.
The molecule CC(C)NC(=O)N1CC2(C1)[C@@H]([C@@H](N2C(=O)C)CO)C3=CC=C(C=C3)C4=CCCC4 CC(C)NC(=O)N1CC2(C1)[C@@H]([C@@H](N2C(=O)C)CO)C3=CC=C(C=C3)C4=CCCC4 is (2R,3R)-1-acetyl-3-[4-(1-cyclopentenyl)phenyl]-2-(hydroxymethyl)-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]1(O[C@@H](CO)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](O)[C@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)O[C@@H]1C(=O)OC [H][C@]1(O[C@@H](CO)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](O)[C@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)O[C@@H]1C(=O)OC is Chikusetsusaponin-IV methyl ester. It has the role of metabolite . It is also related to or classified as triterpenoid saponin .
The molecule C[NH+]1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC is the (R)-enantiomer of laudanine(1+). It is a conjugate acid of a (R)-laudanine. It is an enantiomer of a (S)-laudanine(1+).
The molecule [H]C(=C(Br)C=O)C=1C=CC=CC1 [H]C(=C(Br)C=O)C=1C=CC=CC1 is alpha-bromocinnamaldehyde. It has the role of antimicrobial drug . It is also related to or classified as organic molecular entity .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(C)(C)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(C)(C)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A short chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of pivaloyl-CoA; major species at pH 7.3. It is also related to or classified as short chain fatty acyl-CoA(4-)  .  It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as methyl-branched fatty acyl-CoA(4-) .
The molecule O=C(N1[C@@H](NC(=O)/C=C/C2=CC=CC=C2)CCC1)/C=C/C3=CC=CC=C3 O=C(N1[C@@H](NC(=O)/C=C/C2=CC=CC=C2)CCC1)/C=C/C3=CC=CC=C3 is N-(1-cinnamoylpyrrolidin-2-yl)cinnamamide. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCCCCCCC/C=C/C(=O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,20R)-20-hydroxyhenicos-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an alpha,beta-unsaturated monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from a (2E,20R)-20-hydroxyhenicos-2-enoic acid. It is a conjugate acid of an ascr#37(1-).
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCC/C=C/C([O-])=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCC/C=C/C([O-])=O is A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#23, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy fatty acid ascaroside anion .
The molecule CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7C=CC(=O)[C@@H](O7)C)O)N(C)C)O is an anthracycline antibiotic that is aclacinomycin A in which the ketone function on the trisaccharide fragment has undergone 2,3-dehydrogenation to afford the corresponding enone. It has a role as an antimicrobial agent and a metabolite. It is an aminoglycoside, an anthracycline, a member of phenols, a polyketide, a tertiary alcohol, a trisaccharide derivative, an enone, a member of tetracenequinones and a methyl ester. It derives from an aklavinone. It is a conjugate base of an aclacinomycin Y(1+). It is a tautomer of an aclacinomycin Y zwitterion.
The molecule CS(=O)CCCCCCCN is a primary amino compound that is heptylamine in which one of the methyl hydrogens at position 7 has been replaced by a methylsulfinyl group. It has a role as a plant metabolite. It is a sulfoxide and a primary amino compound.
The molecule O1[C@@H](OC=2C3=C(OC=C(C3=O)C4=CC=C(O)C=C4)C=C(O)C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O O1[C@@H](OC=2C3=C(OC=C(C3=O)C4=CC=C(O)C=C4)C=C(O)C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O is Genistein 5-O-glucuronide. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule C(CCC(/C=C/C=C\C/C=C\CCCCCCC(=O)[O-])OO)CC C(CCC(/C=C/C=C\C/C=C\CCCCCCC(=O)[O-])OO)CC is 15-HPETrE(1-). Its functional parent is all-cis-icosa-8,11,14-trienoate . It is also related to or classified as hydroperoxyicosatrienoate .
The molecule FC1=CN(C(=O)NCCCCC(O)C)C(=O)NC1=O FC1=CN(C(=O)NCCCCC(O)C)C(=O)NC1=O is Hhcfu. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyrimidines .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(O)C=C4)C(O)=O O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(O)C=C4)C(O)=O is Genistein 7-O-glucuronide. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\\C/C=C\\CCCCC is a phosphatidylcholine O-40:2 in which the alkyl and acyl groups at positions 1 and 2 are octadecyl and (13Z,16Z)-docosadienoyl respectively. It is a phosphatidylcholine O-40:2 and a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine. It derives from a (13Z,16Z)-docosadienoic acid.
The molecule N[C@H](Cc1c[nH]c2ccccc12)C([O-])=O N[C@H](Cc1c[nH]c2ccccc12)C([O-])=O is the D-enantiomer of tryptophanate. It has the role of bacterial metabolite . It is also related to or classified as tryptophanate  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl is N-[(3S,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule S(CC(O[C@H]1[C@]2([C@]3([C@@]([C@H]([C@H](O)[C@](C1)(C)C=C)C)(CCC2C)CCC3=O)[H])C)=O)CCN(CC)CC.OC(=O)/C=C/C(O)=O S(CC(O[C@H]1[C@]2([C@]3([C@@]([C@H]([C@H](O)[C@](C1)(C)C=C)C)(CCC2C)CCC3=O)[H])C)=O)CCN(CC)CC.OC(=O)/C=C/C(O)=O is Tiamulin fumarate. It is also related to or classified as carboxylic ester  . It is also related to or classified as carbotricyclic compound , cyclic ketone .
The molecule C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O)O is a 3beta-hydroxy steroid, a 12beta-hydroxy steroid, a 14beta-hydroxy steroid and a 16beta-hydroxy steroid. It derives from a hydride of a 5beta-cardanolide.
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#22-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule N[C@@H](CCCNC(=N)NC(CC(O)=O)C(O)=O)C(O)=O N[C@@H](CCCNC(=N)NC(CC(O)=O)C(O)=O)C(O)=O is (N(omega)-L-arginino)succinic acid. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of (N(omega)-L-arginino)succinate(1-) . It is also related to or classified as guanidines , non-proteinogenic L-alpha-amino acid , L-arginine derivative .
The molecule C(CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N is a glycoside that consists of the linear trisaccharide beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-beta-D-Manp having a 2-aminoethoxy moiety at the reducing-end anomeric centre. It derives from an ethanolamine and a beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-beta-D-Manp.
The molecule CC\C=C/C[C@@H]1[C@H](CCCCCCCC(O)=O)C=CC1=O CC\C=C/C[C@@H]1[C@H](CCCCCCCC(O)=O)C=CC1=O is the (9R,13R)-diastereomer of 12-oxophytodienoic acid. It is a conjugate acid of (9R,13R)-12-oxophytodienoate . It is also related to or classified as oxo carboxylic acid , carbocyclic fatty acid , olefinic fatty acid .
The molecule [O-]OP([O-])([O-])=O [O-]OP([O-])([O-])=O is A trivalent inorganic anion obtained by removal of all three protons from peroxyphosphoric acid. It is also related to or classified as phosphorus oxoanion , trivalent inorganic anion .
The molecule CC[C@@H]1NC(=O)[C@H]([C@H](OS(O)(=O)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C CC[C@@H]1NC(=O)[C@H]([C@H](OS(O)(=O)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C is A cyclosporin A derivative that is cyclosporin A  in which the hydroxy group at the MeBmt (butenylmethylthreonine) amino acid is replaced by a sulfooxy group. It is a conjugate acid of cyclosporin A sulfate . It is also related to or classified as cyclosporin A derivative , organic sulfate .
The molecule C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.Cl.[Cl-] is a hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride. It has a role as an antibacterial agent, an antiseptic drug, a carcinogenic agent and an intercalator. It contains a 3,6-diamino-10-methylacridinium chloride.
The molecule COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=CC=C(C=C5)F COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=CC=C(C=C5)F is (6R,7S,8S)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule COC(=O)[C@@H](N)Cc1ccc(OS([O-])(=O)=O)cc1 COC(=O)[C@@H](N)Cc1ccc(OS([O-])(=O)=O)cc1 is A phenyl sulfate oxoanion arising from arising from deprotonation of the sulfate OH group of L-tyrosine methyl ester 4-sulfate; major species at pH 7.3. It is also related to or classified as phenyl sulfate oxoanion  .
The molecule CC(=C)C is an alkene that is prop-1-ene substituted by a methyl group at position 2. It is an alkene and a gas molecular entity.
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#22. Its functional parent is oscr#22 . It is a conjugate acid of oscr#22-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F is an aromatic ketone that is 2-benzoylcyclohexane-1,3-dione in which the phenyl group is substituted at positions 2, 3, and 4 by chlorine, (2,2,2-trifluoroethoxy)methyl, and methylsulfonyl groups, respectively. It is a post-emergence herbicide used (particularly in conjunction with the herbicide safener cyprosulfamide) for the control of a wide range of broad-leaved and grassy weeds in corn and other crops. It has a role as a herbicide, an agrochemical, an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor and a carotenoid biosynthesis inhibitor. It is a sulfone, a cyclic ketone, an aromatic ketone, a member of monochlorobenzenes, an organofluorine compound, an ether and a beta-triketone.
The molecule O=C1OC2=C(C=CC(=C2C)O[C@H]3OC([C@H](OC)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC(=C(O)C=C4)C/C=C(/CO)\C)O O=C1OC2=C(C=CC(=C2C)O[C@H]3OC([C@H](OC)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC(=C(O)C=C4)C/C=C(/CO)\C)O is 11-hydroxynovobiocin.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule OC(=O)C1=CC=CO1 OC(=O)C1=CC=CO1 is A furoic acid having the carboxylic acid group located at position 2. It has the role of inhibitor . It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of human xenobiotic metabolite . It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of 2-furoate . It is also related to or classified as furoic acid .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=C3OC(C(O)C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)C O1C(C(O)C(O)C(O)C1OC=2C=C3OC(C(O)C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)C is Aromadendrin 4'-methyl ether 7-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(=C\\C(=O)[O-])\\C(=C/C(=O)O)\\[O-] is dicarboxylate anion of 3-hydroxy-cis,cis-muconic acid; major species at pH 7.3. It is a conjugate base of a 3-hydroxy-cis,cis-muconic acid.
The molecule CCCCCC(=O)OCC[N+](C)(C)C is an acylcholine with an acyl group that is hexanoyl. It has a role as a metabolite. It derives from a hexanoic acid.
The molecule COC(=O)COc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O COC(=O)COc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O is A methyl ester that is uridine which is substituted at position 5 on the uracil ring by a methoxycarbonylmethoxy group. It is also related to or classified as methyl ester  . It is also related to or classified as uridines .