anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C is A glucocorticoid that is prednisolone carrying a hydroxy group at the 6beta position. It is a metabolite of prednisolone found in human urine. It has the role of human urinary metabolite . Its functional parent is prednisolone . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .    It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as C21-steroid  . It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 17alpha-hydroxy steroid , 21-hydroxy steroid , 6beta-hydroxy steroid , 20-oxo steroid .
The molecule O=C1O[C@@](O)(CCC(=O)OC)C(C1)=C(C(=O)OCCCC)C(=O)OCCCC O=C1O[C@@](O)(CCC(=O)OC)C(C1)=C(C(=O)OCCCC)C(=O)OCCCC is Ghanamycin B. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule COc1c(O)cc2O[C@@H]([C@@H](OC(C)=O)C(=O)c2c1O)c1ccc(O)cc1 COc1c(O)cc2O[C@@H]([C@@H](OC(C)=O)C(=O)c2c1O)c1ccc(O)cc1 is A trihydroxyflavanone that is aromadendrin 3-O-acetate substituted by a methoxy group at position 6. Its functional parent is (+)-dihydrokaempferol . It is also related to or classified as 4'-hydroxyflavanones  .   It is also related to or classified as acetate ester  . It is also related to or classified as monomethoxyflavanone , trihydroxyflavanone .
The molecule O=C(N)CCCCCCCCCCCCC O=C(N)CCCCCCCCCCCCC is A fatty amide of myristic acid. It has the role of human metabolite . Its functional parent is tetradecanoic acid . It is also related to or classified as primary fatty amide  . It is also related to or classified as primary carboxamide  .
The molecule C1CNCN1 C1CNCN1 is imidazolidine. It is also related to or classified as saturated organic heteromonocyclic parent , azacycloalkane , imidazolidines .
The molecule N12[C@@H](CC34C5([C@@H]1NC6=CC=CC=C56)CC7N([C@H]3NC8=CC=CC=C48)C[C@@H]([NH+](C7)C)C(C)C)CN([C@H](C2)C(C)C)C(=O)C N12[C@@H](CC34C5([C@@H]1NC6=CC=CC=C56)CC7N([C@H]3NC8=CC=CC=C48)C[C@@H]([NH+](C7)C)C(C)C)CN([C@H](C2)C(C)C)C(=O)C is major microspecies at pH 7.3. It is also related to or classified as tertiary ammonium ion  . It is also related to or classified as piperazines .
The molecule OCC=1C=2C(N=CC1)=CC=CC2 OCC=1C=2C(N=CC1)=CC=CC2 is 4-Hydroxymethylquinoline.  It is also related to or classified as aromatic alcohol  . It is also related to or classified as quinolines .
The molecule O(S([O-])(=O)=O)C=1C=C2C(=CC1)C=CN2 O(S([O-])(=O)=O)C=1C=C2C(=CC1)C=CN2 is an organosulfate oxoanion that is the conjugate base of 6-hydroxyindole sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as aryl sulfate oxoanion  .
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\\CC/C(=C\\COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@H](CO1)NC=O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is a polyprenyl glycosyl phosphate consisting of 4-deoxy-4-formamido-alpha-L-arabinopyranose attached at the 1-position to di-trans,poly-cis-undecaprenyl phosphate. It derives from a 4-amino-4-deoxy-alpha-L-arabinopyranose. It is a conjugate acid of a 4-deoxy-4-formamido-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate(1-).
The molecule [H][C@]12OC(=O)c3c(OC)c4OCOc4cc3[C@@]1([H])[C@]1([H])N(C)CCC1=C[C@@H]2O [H][C@]12OC(=O)c3c(OC)c4OCOc4cc3[C@@]1([H])[C@]1([H])N(C)CCC1=C[C@@H]2O is Candimine. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43 is 1-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule N[C@@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C([O-])=O N[C@@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C([O-])=O is the glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosyllysine. It is also related to or classified as glyco-amino-acid anion .
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)CCCO 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)CCCO is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-hydroxybutyric acid. Its functional parent is 4-hydroxybutyric acid . It is a conjugate acid of 4-hydroxybutyryl-CoA(4-) . It is also related to or classified as hydroxyacyl-CoA .
The molecule ClC=1C(=N)C=2NC(C(=O)OC)=CC=3C2C(C1N)=[N+](C3)C ClC=1C(=N)C=2NC(C(=O)OC)=CC=3C2C(C1N)=[N+](C3)C is Ammosester A. It is also related to or classified as organohalogen compound  . It is also related to or classified as quinolines .
The molecule OC[C@@]([C@@](CCCCCCCCCCCCCC)(O)[H])(N)[H] OC[C@@]([C@@](CCCCCCCCCCCCCC)(O)[H])(N)[H] is heptadecasphinganine.  It is also related to or classified as sphingoid  . It is also related to or classified as aminodiol .
The molecule S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@H](N3C1=O)[C@@H](O)CC[C@@H]4O)[C@@H]5[C@@H](O)CCC([C@@H]5C2)=O)C S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@H](N3C1=O)[C@@H](O)CC[C@@H]4O)[C@@H]5[C@@H](O)CCC([C@@H]5C2)=O)C is Epicoccin L. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCNc1nc(N)nc(Cl)n1 CCNc1nc(N)nc(Cl)n1 is A diamino-1,3,5-triazine that is N-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It has the role of bacterial xenobiotic metabolite . It has the role of marine xenobiotic metabolite . Its functional parent is 6-chloro-1,3,5-triazine-2,4-diamine . It is also related to or classified as chloro-1,3,5-triazine , diamino-1,3,5-triazine .
The molecule O(S(O)(=O)=O)C=1C=C2C(=CC1)C=CN2 O(S(O)(=O)=O)C=1C=C2C(=CC1)C=CN2 is A member of the class of indoles that is 6-hydroxyindole in which the phenolic hydrogen has been replaced by a sulfo group. It is a conjugate acid of 6-hydroxyindole sulfate(1-) . It is also related to or classified as indoles , aryl sulfate .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)O)O)O)O is an amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 6-O-sulfo-beta-D-galactosyl residue attached at position 3. It is an amino disaccharide and an oligosaccharide sulfate.
The molecule CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC([O-])=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C([O-])=O CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC([O-])=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C([O-])=O is an amino acid zwitterion that is the dizwitterionic form of Ile(5)-angiotensin II having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated. It has the role of human metabolite . It is also related to or classified as amino-acid zwitterion .
The molecule CC(C)C(O)(O)C([O-])=O CC(C)C(O)(O)C([O-])=O is A 2-hydroxy fatty acid anion that is the conjugate base of 2,2-dihydroxy-3-methylbutanoic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. It has the role of human metabolite . It is also related to or classified as 2-hydroxy fatty acid anion  .
The molecule [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC([O-])=O [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC([O-])=O is A glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosylglycine. It is also related to or classified as glyco-amino-acid anion .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)CC(O)(CC(O)=O)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)CC(O)(CC(O)=O)C is Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside]. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@H]1(NC(=O)NC1=O)CCSC [C@H]1(NC(=O)NC1=O)CCSC is an L-5-monosubstituted hydantoin in which the substituent is specified as 2-(methylthio)ethyl. Its functional parent is L-methionine . It is also related to or classified as L-5-monosubstituted hydantoin  .
The molecule CC(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 acyl-CoA(4-) that is the tetraanion of isobutyryl-CoA, arising from deprotonation of phosphate and diphosphate functions. It has a role as a human metabolite. It is a conjugate base of an isobutyryl-CoA.
The molecule O=C1C=C[C@H]([C@@]1(O)C(=O)CCCCCCCCCCCC)OC(=O)C O=C1C=C[C@H]([C@@]1(O)C(=O)CCCCCCCCCCCC)OC(=O)C is 4-O-Acetyl hygrophorone D12. It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule OC(C1=CC=CC=C1)C(=O)C(O)=O OC(C1=CC=CC=C1)C(=O)C(O)=O is Hydroxyphenylpyruvic acid. Its functional parent is pyruvic acid . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule C1(=CC=C(C(=C1)O)O)/C=C/C(O[C@H]2[C@@H]([C@@H](C=C(C2)C(=O)[O-])O)O)=O C1(=CC=C(C(=C1)O)O)/C=C/C(O[C@H]2[C@@H]([C@@H](C=C(C2)C(=O)[O-])O)O)=O is A hydroxy monocarboxylic acid anion that is the conjugate base of 5-[(E)-caffeoyl]shikimic acid. Major structure at pH 7.3. It has the role of plant metabolite . It is also related to or classified as hydroxy monocarboxylic acid anion , cyclohexenecarboxylate .
The molecule C1=CN(OC1=O)C[C@@H](C(=O)[O-])[NH3+] is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 3-(5-oxoisoxazolin-2-yl)-L-alanine; major species at pH 7.3. It is a tautomer of a 3-(5-oxoisoxazolin-2-yl)-L-alanine.
The molecule CC1(C)[C@@H](C(Br)C(Br)(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 CC1(C)[C@@H](C(Br)C(Br)(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 is A carboxylic ester resulting from the formal condensation between (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid and the alcoholic hydroxy group of (2S)-hydroxy(3-phenoxyphenyl)acetonitrile. It has the role of pyrethroid ester insecticide . Its functional parent is (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid . It is also related to or classified as nitrile  . It is also related to or classified as carboxylic ester  .  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether , cyclopropanes .
The molecule C[Si](C)(C)c1ccc(O)cc1 C[Si](C)(C)c1ccc(O)cc1 is an organosilicon compound that is phenol substituted by a trimethylsilyl group at position 4.  It is also related to or classified as phenols  . It is also related to or classified as organosilicon compound .
The molecule C1CC[AsH]C1 C1CC[AsH]C1 is arsolane. It is also related to or classified as saturated organic heteromonocyclic parent , arsolanes .
The molecule C(SC)C[C@@H](C(=O)[O-])NC(=O)N C(SC)C[C@@H](C(=O)[O-])NC(=O)N is an N-carbamoyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-carbamoyl-L-methionine. Major microspecies at pH 7.3. It is also related to or classified as N-carbamoyl-L-alpha-amino acid anion  .
The molecule C[C@H](CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C is an S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid. It has a role as a mouse metabolite. It derives from a 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid. It is a conjugate acid of a S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine(2-).
The molecule C1CCNC1 C1CCNC1 is A cyclic amine whose five-membered ring contains four carbon atoms and one nitrogen atom; the parent compound of the pyrrolidine family. It is also related to or classified as saturated organic heteromonocyclic parent , azacycloalkane , pyrrolidines .
The molecule NC(Cc1c[nH]c2ccccc12)C([O-])=O NC(Cc1c[nH]c2ccccc12)C([O-])=O is an alpha-amino-acid anion that is the conjugate base of tryptophan, arising from deprotonation of the carboxy group. It is also related to or classified as alpha-amino-acid anion .
The molecule ClC(C#CC#CC#CC)C(O)CO ClC(C#CC#CC#CC)C(O)CO is Chondrosterin H. It is also related to or classified as alcohol  . It is also related to or classified as organochlorine compound  .
The molecule O1[C@@]23[C@]([C@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H](C/C=C/C(OC)(C)C)C)[H])(CC4)C)C)(C=C2)[H])C1OC)(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C3(C)C)[H] O1[C@@]23[C@]([C@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H](C/C=C/C(OC)(C)C)C)[H])(CC4)C)C)(C=C2)[H])C1OC)(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C3(C)C)[H] is Goyaglycoside c.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule [O-]S(OC=1C=C2OC(C=CC2=CC1)=O)(=O)=O [O-]S(OC=1C=C2OC(C=CC2=CC1)=O)(=O)=O is an organosulfate oxoanion that is the conjugate base of umbelliferone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . It is also related to or classified as aryl sulfate oxoanion  .
The molecule CC(C)CN1C2=NN(C(=C2C(=O)N(C1=O)C)C3=CC=NC=C3)CC4=CC=CC5=CC=CC=C54 is a pyrazolopyrimidine that is alloxanthine which is substituted at positions 2, 3, 5, and 7 by 1-naphthylmethyl, 4-pyridyl, methyl, and isobutyl groups, respectively. It derives from an alloxanthine.
The molecule OC(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CC(O)=O)c(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O OC(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CC(O)=O)c(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O is uroporphyrinogen I. It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of uroporphyrinogen I(8-) . It is also related to or classified as uroporphyrinogen .
The molecule [NH3+][C@@H](CCCC[NH2+]CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C([O-])=O [NH3+][C@@H](CCCC[NH2+]CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C([O-])=O is an amino-acid cation comprising fructosyllysine having a deprotonated carboxy group and both amino groups protonated; major species at pH 7.3. It is a conjugate acid of fructosyllysine . It is also related to or classified as amino-acid cation .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(OC(=O)/C(/C)=C\C)C=C4)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(OC(=O)/C(/C)=C\C)C=C4)CO is Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](O)[C@@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@H](O)[C@H]1CO O1[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](O)[C@@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@H](O)[C@H]1CO is an amino disaccharide consisting of two 2-acetamido-2-deoxy-beta-D-glucopyranose residues joined by a (1->6) glycosidic bond. Its functional parent is N-acetyl-beta-D-glucosamine . It is also related to or classified as acetamides , amino disaccharide , glucosamine oligosaccharide .
The molecule C(=O)(OC(C)(C)C)C[C@H]1C=2N(C3=C(C(=N1)C4=CC=C(C=C4)Cl)C(=C(S3)C)C)C(=NN2)C C(=O)(OC(C)(C)C)C[C@H]1C=2N(C3=C(C(=N1)C4=CC=C(C=C4)Cl)C(=C(S3)C)C)C(=NN2)C is A member of the class of thienotriazolodiazepines that is the tert-butyl ester of [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. An inhibitor of bromodomain-containing protein 4 that exhibits anti-cancer and cardioprotective properties. It has the role of bromodomain-containing protein 4 inhibitor . It has the role of ferroptosis inducer . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of cardioprotective agent . It is also related to or classified as tert-butyl ester  . It is also related to or classified as organochlorine compound  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as thienotriazolodiazepine .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C is N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1N[C@H](C(=O)NC1=C)[C@H]([C@@]2(O)C(=O)N(C)C3=C2C=CC=C3)C O=C1N[C@H](C(=O)NC1=C)[C@H]([C@@]2(O)C(=O)N(C)C3=C2C=CC=C3)C is Maremycin D1. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COC1=CC=C(C([O-])=O)C(=O)C1=[N+]=[N-] COC1=CC=C(C([O-])=O)C(=O)C1=[N+]=[N-] is A monocarboxylic acid anion that is the conjugate base of cremeomycin resulting from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C12=CC(=CC=C2C=CC(O1)=O)O C12=CC(=CC=C2C=CC(O1)=O)O is A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. It has the role of fluorescent probe . It has the role of plant metabolite . It has the role of food component . It is also related to or classified as hydroxycoumarin .
The molecule C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)[O-])O)[O-])C(=O)N)[NH+](C)C)O is an organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a chlortetracycline.
The molecule O=C1N(C=CCC(=O)OC(C(C)(C)C)CC(CCCCC1C)C)C O=C1N(C=CCC(=O)OC(C(C)(C)C)CC(CCCCC1C)C)C is Laingolide A. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C is tetramethrin. It has the role of pyrethroid ester insecticide . Its functional parent is chrysanthemic acid . It is also related to or classified as phthalimide insecticide , cyclopropanecarboxylate ester , maleimides .
The molecule O=C1C2=C(C(O)=CC=C2)C(=O)[C@@H]3[C@]1([C@H]4OC(=O)C[C@H]4O[C@]35O[C@H](C[C@@H]([C@@H]5O)O)C)CC(=O)C O=C1C2=C(C(O)=CC=C2)C(=O)[C@@H]3[C@]1([C@H]4OC(=O)C[C@H]4O[C@]35O[C@H](C[C@@H]([C@@H]5O)O)C)CC(=O)C is Griseusin F. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1=C2[C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O)[H])C)[H] C1=C2[C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O)[H])C)[H] is A 3-oxo-5alpha-steroid that is 5alpha-estrane which is substituted by an oxo group at position 3, a hydroxy group at the 17beta position, and which has a double bond between positions 1 and 10. It is a 19-norsteroid arising from successive oxidation of dihydrotestosterone at C19.  It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as C18-steroid .
The molecule CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)O is a FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 5-hydroxystearic acid. It has a role as a human metabolite, an anti-inflammatory agent and a hypoglycemic agent. It is a FAHFA and a long-chain fatty acid. It derives from a hexadecanoic acid and an octadecanoic acid. It is a conjugate acid of a 5-PAHSA(1-).
The molecule O=C(O)C1(O)C2(OC(CCCCC(CC3=CC=CC=C3)C)(OC1C(=O)O)[C@@H]([C@H]2OC(=O)CC/C=C/C(CCCC4=CC=CC=C4)C)O)C(=O)O O=C(O)C1(O)C2(OC(CCCCC(CC3=CC=CC=C3)C)(OC1C(=O)O)[C@@H]([C@H]2OC(=O)CC/C=C/C(CCCC4=CC=CC=C4)C)O)C(=O)O is Desacetoxy-zaragozic acid C. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule OC(=O)C(=O)CC1=CC(O)=CC=C1 OC(=O)C(=O)CC1=CC(O)=CC=C1 is A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3-hydroxyphenyl group. It has the role of human metabolite . Its functional parent is pyruvic acid . It is a conjugate acid of 3-hydroxyphenylpyruvate . It is also related to or classified as phenols  . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule OS(OC=1C=C2OC(C=CC2=CC1)=O)(=O)=O OS(OC=1C=C2OC(C=CC2=CC1)=O)(=O)=O is A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a sulfo group. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . Its functional parent is umbelliferone . It is a conjugate acid of umbelliferone sulfate(1-) . It is also related to or classified as coumarins , aryl sulfate .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H](C(=C(O2)C(=O)O)O)O)O is a Delta(4)-beta-D-GlcpA-(1->3)-D-GalpNAc4S in which the the carbon bearing the anomeric hydroxy group has beta- configuration. It derives from a 4,5-dehydro-D-glucuronic acid and a N-acetyl-beta-D-galactosamine 6-sulfate.
The molecule C(CCC)(=O)N[C@@H](CCC(N)=O)C(=O)O C(CCC)(=O)N[C@@H](CCC(N)=O)C(=O)O is butyrylglutamine. It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as L-glutamine derivative .
The molecule FC(C(F)(F)F)C(F)(F)Oc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl FC(C(F)(F)F)C(F)(F)Oc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl is lufenuron. It is also related to or classified as dichlorobenzene  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as aromatic ether , benzoylurea insecticide , N-acylurea .
The molecule C(C(=O)[O-])[C@](C(=O)[O-])(O)C(C)C C(C(=O)[O-])[C@](C(=O)[O-])(O)C(C)C is A 2-isopropylmalate(2-) with S-configuration at the chiral centre. It is also related to or classified as 2-hydroxydicarboxylate(2-)  . It is also related to or classified as 2-isopropylmalate(2-)  .
The molecule CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1 CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1 is ZXI 8901. It has the role of pyrethroid ester insecticide . It has the role of pyrethroid ester acaricide . Its functional parent is 2-(4-hydroxyphenyl)-3-methylbutyric acid . It is also related to or classified as organobromine compound  . It is also related to or classified as organofluorine insecticide , organofluorine acaricide .
The molecule CC(=O)OP(O)([O-])=O CC(=O)OP(O)([O-])=O is an acyl monophosphate(1-) that is the conjugate base of acetyl dihydrogen phosphate. It has the role of Escherichia coli metabolite . It is a conjugate acid of acetyl phosphate(2-) . It is also related to or classified as acyl monophosphate(1-)  .