anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1O[C@@H](OCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#12. It is also related to or classified as organic molecular entity .
The molecule [NH3+][C@@H]1c2ccc(OS([O-])(=O)=O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C([O-])=O)c5[O-])c(Cl)c4)NC1=O)c2 [NH3+][C@@H]1c2ccc(OS([O-])(=O)=O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C([O-])=O)c5[O-])c(Cl)c4)NC1=O)c2 is an organic anion obtained by deprotonation of the carboxy, sulfo and one of the hydroxy groups as well as protonation of the amino group of A47934; major species at pH 7.3. It is also related to or classified as organic anion .
The molecule C[C@H](CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F C[C@H](CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F is A 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one in which the methyl group at position 2 adopts R-configuration. It is a muscle relaxant and induces ferroptosis in cancer cells. It has the role of ferroptosis inducer . It has the role of antineoplastic agent . It has the role of calcium channel blocker . It has the role of voltage-gated sodium channel blocker . It has the role of muscle relaxant . It is also related to or classified as 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one  .
The molecule P(=O)(OCC(OC(=O)C(O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OCCNC=1C2=C(O)C=3C(=O)C4=C(O)C=CC=C4C(C3C(=C2C(C(=O)OC)=C(C1)CC)O)=O)O P(=O)(OCC(OC(=O)C(O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OCCNC=1C2=C(O)C=3C(=O)C4=C(O)C=CC=C4C(C3C(=C2C(C(=O)OC)=C(C1)CC)O)=O)O is Kyanomycin. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule C[C@@H]1O[C@@H](OCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is conjugate base of bkos#10-CoA. It is also related to or classified as organic molecular entity .
The molecule CSc1ccc(O)cc1C CSc1ccc(O)cc1C is 4-(methylsulfanyl)-m-cresol. Its functional parent is m-cresol . It is also related to or classified as phenols  . It is also related to or classified as aryl sulfide .
The molecule [H]P(O)(=O)OP([H])(O)=O [H]P(O)(=O)OP([H])(O)=O is diphosphonic acid. It is a conjugate acid of diphosphonate(1-) . It is also related to or classified as phosphorus oxoacid , acyclic phosphorus acid anhydride .
The molecule OC(=O)c1cccc(F)c1 OC(=O)c1cccc(F)c1 is A fluorobenzoic acid that is benzoic acid substituted by a fluoro group at position 3. It is a conjugate acid of 3-fluorobenzoate . It is also related to or classified as fluorobenzoic acid .
The molecule COP(=S)(OC)Oc1ccc(SC)c(C)c1 COP(=S)(OC)Oc1ccc(SC)c(C)c1 is an organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen atom of the hydroxy group is replaced by a 3-methyl-4-(methylsulfanyl)phenyl group. It exhibits  acaricidal and insecticidal activities. It has the role of acaricide . It has the role of insecticide . It has the role of agrochemical . It has the role of avicide . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 4-(methylsulfanyl)-m-cresol . It is also related to or classified as organic thiophosphate .
The molecule C[C@@H]1O[C@@H](OCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is coA ester of bkos#10. It is also related to or classified as organic molecular entity .
The molecule N[C@@H](Cc1ccc([O])cc1)C(O)=O N[C@@H](Cc1ccc([O])cc1)C(O)=O is L-tyrosinyl radical. Its functional parent is L-tyrosine . It is also related to or classified as tyrosinyl radical  .
The molecule Cl[H].CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O Cl[H].CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O is the hydrochloride salt of acebutolol, prepared using equimolar amounts of acebutolol and hydrogen chloride. It has the role of sympathomimetic agent . It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of anti-arrhythmia drug . It is also related to or classified as hydrochloride .
The molecule O=C(O)/C=C/C=C/[C@H]1O[C@H]2[C@](OCC[C@H]2C)(C)[C@H]3[C@@H]([C@@H]1O)[C@H]4[C@@H](CC(C)=CC4)C=C3C O=C(O)/C=C/C=C/[C@H]1O[C@H]2[C@](OCC[C@H]2C)(C)[C@H]3[C@@H]([C@@H]1O)[C@H]4[C@@H](CC(C)=CC4)C=C3C is Pyrenulic acid D. It is also related to or classified as medium-chain fatty acid  .
The molecule CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C is Diisodecyl phthalate.  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .
The molecule C[C@@H]1O[C@@H](OCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#10. It is also related to or classified as organic molecular entity .
The molecule CC[C@H]1C[C@@H](C)C(=O)\C=C\C(C)=C\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)[NH+](C)C CC[C@H]1C[C@@H](C)C(=O)\C=C\C(C)=C\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)[NH+](C)C is an organic cation that is the conjugate acid of 5-O-beta-D-mycaminosyltylactone, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of 5-O-beta-D-mycaminosyltylactone . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule BrC1=C(O)C=2C(=O)C=3O[C@]([C@@H]4CCC(=C[C@@H]4C3C(C2C=C1O)=O)C)(CCC=C(C)C)C BrC1=C(O)C=2C(=O)C=3O[C@]([C@@H]4CCC(=C[C@@H]4C3C(C2C=C1O)=O)C)(CCC=C(C)C)C is Isomarinone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#1. It is also related to or classified as organic molecular entity .
The molecule OC(=O)Cc1cnc[nH]1 OC(=O)Cc1cnc[nH]1 is A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. It has the role of metabolite . Its functional parent is acetic acid . It is also related to or classified as imidazoles , monocarboxylic acid .
The molecule OC(=O)CC1=NCN=C1 OC(=O)CC1=NCN=C1 is an imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2H-imidazol-4-yl group. It has the role of metabolite . Its functional parent is acetic acid . It is also related to or classified as imidazoles , monocarboxylic acid .
The molecule O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@@H](OC)[C@H](OC(=O)C(CO)(CO)C)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)CC)C)C)CCCC2 O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@@H](OC)[C@H](OC(=O)C(CO)(CO)C)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)CC)C)C)CCCC2 is Homotemsirolimus B. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule CNC(=O)CSP(=S)(OC)OC CNC(=O)CSP(=S)(OC)OC is A monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group. It has the role of acaricide . It has the role of insecticide . It has the role of agrochemical . It has the role of xenobiotic . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of environmental contaminant . Its functional parent is N-methyl-2-sulfanylacetamide . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organic thiophosphate .
The molecule C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34 C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34 is conjugate base of bkas#9-CoA. It is also related to or classified as organic molecular entity .
The molecule CNC(=O)CS CNC(=O)CS is A monocarboxylic acid amide resulting from formal condensation between mercaptoacetic acid and methylamine. Its functional parent is acetamide . It is also related to or classified as monocarboxylic acid amide  .
The molecule O=C1N2[C@@H](C(=O)N[C@@H]1CC(C)C)CCC2 O=C1N2[C@@H](C(=O)N[C@@H]1CC(C)C)CCC2 is Cyclo(D)-Pro-(D)-Leu. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34 C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34 is coA ester of bkas#9. It is also related to or classified as organic molecular entity .
The molecule C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O is A tetrasaccharide derivative consisting of a dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl C7 cyclitol moiety [called valienol (or valienamine)] linked via nitrogen to isomaltotriose. It has the role of geroprotector . It has the role of hypoglycemic agent . It has the role of EC 3.2.1.1 (alpha-amylase) inhibitor . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It is also related to or classified as tetrasaccharide derivative .
The molecule O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C(O)C(O)[C@@H](O)C1 O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C(O)C(O)[C@@H](O)C1 is Pelargonidin 3-O-arabinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C=1NC=C(CC([O-])=O)N1 C=1NC=C(CC([O-])=O)N1 is conjugate base of imidazol-4-ylacetic acid; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as monocarboxylic acid anion  .
The molecule O1C2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)C)C=C4)CC3)C)C O1C2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)C)C=C4)CC3)C)C is Blazeispirol A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC([O-])=O C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC([O-])=O is conjugate base of bkas#9. It is also related to or classified as organic molecular entity .
The molecule N[C@@H]1c2ccc(OS(O)(=O)=O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C(O)=O)c5O)c(Cl)c4)NC1=O)c2 N[C@@H]1c2ccc(OS(O)(=O)=O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C(O)=O)c5O)c(Cl)c4)NC1=O)c2 is A cyclic peptide antibiotic produced by a strain of Streptomyces toyocaensis. It has the role of fungal metabolite . It is a conjugate acid of A47934(2-) .    It is also related to or classified as organochlorine compound  . It is also related to or classified as heterodetic cyclic peptide , peptide antibiotic , polyphenol , cyclic ether , aryl sulfate .
The molecule CC(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@@H](O)C2)=C\C(O)=O CC(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@@H](O)C2)=C\C(O)=O is an apo carotenoid sesquiterpenoid that is phaseic acid in which the keto group has been reduced to the corresponding alcohol such that the two hydroxy groups are on opposite sides of the 6-membered ring. It has the role of metabolite . Its functional parent is phaseic acid . It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as 6-hydroxy monocarboxylic acid , apo carotenoid sesquiterpenoid , cyclic ether , alpha,beta-unsaturated monocarboxylic acid .
The molecule O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OCCCC)C O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OCCCC)C is 3-O-butyl-4a,10a-dihydrofusarubin A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H](CCCCCCCCCCCCCCCCC(=O)CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCCC(=O)CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of bkas#38-CoA. It is also related to or classified as organic molecular entity .
The molecule C(C=1N=C(NC1O)SC)CC(=O)[O-] C(C=1N=C(NC1O)SC)CC(=O)[O-] is major microspecies at pH 7.3. Its functional parent is hydantoin-5-propionate . It is also related to or classified as organic sulfide  .
The molecule CC(C)C(C(O)=O)c1ccc(O)cc1 CC(C)C(C(O)=O)c1ccc(O)cc1 is 2-(4-hydroxyphenyl)-3-methylbutyric acid. Its functional parent is isovaleric acid . It is also related to or classified as phenols  .
The molecule O1[C@@H](OC2=CC=C([C@@H]3CC4=C(OC3)C=C(O)C=C4)C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O O1[C@@H](OC2=CC=C([C@@H]3CC4=C(OC3)C=C(O)C=C4)C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O is Equol 4'-O-glucuronide. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule C1(C(NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CC2=CC=C(C=C2)O)=O C1(C(NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CC2=CC=C(C=C2)O)=O is major microspecies at pH 7.3.  It is also related to or classified as guanidinium ion  . It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as dipeptide  . It is also related to or classified as alpha-amino-acid cation .
The molecule O=C1OC(C2=CN=CC=C2)=CC3=C1C=C4[C@]5([C@@H]([C@@]6([C@](O)(C(=C)C)CC5)COC(=O)CC6)C[C@@H]([C@@]4(O3)C)O)C O=C1OC(C2=CN=CC=C2)=CC3=C1C=C4[C@]5([C@@H]([C@@]6([C@](O)(C(=C)C)CC5)COC(=O)CC6)C[C@@H]([C@@]4(O3)C)O)C is Pileotin A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(C)OC(=O)c1ccccc1C(=O)OC(C)C CC(C)OC(=O)c1ccccc1C(=O)OC(C)C is Diisopropyl phthalate.  It is also related to or classified as isopropyl ester  . It is also related to or classified as diester  . It is also related to or classified as phthalate ester .
The molecule C[C@H](CCCCCCCCCCCCCCCCC(=O)CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCCC(=O)CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of bkas#38. It is also related to or classified as organic molecular entity .
The molecule O=C1/C(/C2=CCCNC2=C1)=C\C O=C1/C(/C2=CCCNC2=C1)=C\C is Streptazone B1. It is also related to or classified as enamine  . It is also related to or classified as enone  .
The molecule C[C@H](CCCCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of bkas#38. It is also related to or classified as organic molecular entity .
The molecule C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)(C(CO)CC=O)[H])C)C)[H])C)[H])(C)C)=O C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)(C(CO)CC=O)[H])C)C)[H])C)[H])(C)C)=O is (1S,3bR,4R,5aR,9aR,9bR,11aS)-1-(1-hydroxy-4-oxobutan-2-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate.  It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid .
The molecule O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)[C@H](O)[C@@H](O)[C@@H](O)C1 O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)[C@H](O)[C@@H](O)[C@@H](O)C1 is Malvidin 3-O-arabinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O=C1O[C@H](C(C=CC=C([C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](OC(=O)CCCCCCCCC(C)C)C[C@@H]2O[C@@](C[C@@H]([C@H](CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCCC=CCCCNC(=NC)N)C O=C1O[C@H](C(C=CC=C([C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](OC(=O)CCCCCCCCC(C)C)C[C@@H]2O[C@@](C[C@@H]([C@H](CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCCC=CCCCNC(=NC)N)C is 23-(10-methyl)undecanoic acid demalonylazalomycin F4a ester. It is also related to or classified as macrolide  .
The molecule C[C@H](CCCCCCCCCCCCCCCC(=O)CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCC(=O)CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of bkas#36-CoA. It is also related to or classified as organic molecular entity .
The molecule O=C1N2C(OCC2)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)C(OC8OC(C(OC9OC(C(OC%10OC(C(O)C(C%10)OC)C)C(C9)OC)C)CC8)C)CC7O)OC6C%11=C5C(OCO%11)CC4C3)C O=C1N2C(OCC2)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)C(OC8OC(C(OC9OC(C(OC%10OC(C(O)C(C%10)OC)C)C(C9)OC)C)CC8)C)CC7O)OC6C%11=C5C(OCO%11)CC4C3)C is Kigamicin D. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule C[C@H](CCCCCCCCCCCCCCCC(=O)CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCC(=O)CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of bkas#36. It is also related to or classified as organic molecular entity .
The molecule C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 is A steroid ester resulting from the formal condensation of the 17-hydroxy function of fluorometholone with acetic acid. Used in the treatment of steroid responsive inflammatory conditions of the palpebral and bulbar conjunctiva, cornea, and anterior segment of the eye. It has the role of anti-inflammatory drug . Its functional parent is fluorometholone . Its functional parent is Delta(1)-progesterone .  It is also related to or classified as 11beta-hydroxy steroid  .  It is also related to or classified as acetate ester  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 20-oxo steroid , steroid ester , fluorinated steroid .
The molecule [H]OS(=O)(=O)S(=O)(=O)O[H] [H]OS(=O)(=O)S(=O)(=O)O[H] is dithionic acid. It is a conjugate acid of dithionate(1-) . It is also related to or classified as sulfur oxoacid .
The molecule C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC([O-])=O)C([O-])=O C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC([O-])=O)C([O-])=O is tetraanion of UDP-N-acetylmuramoyl-L-alanyl-D-glutamic acid arising from deprotonation of the diphosphate and glutamate carboxy groups; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule O[C@@H](CN1C[C@H](O)[C@H]1C(O)=O)[C@H](NCC[C@H](O)C(O)=O)C(O)=O O[C@@H](CN1C[C@H](O)[C@H]1C(O)=O)[C@H](NCC[C@H](O)C(O)=O)C(O)=O is 3-epi-3-hydroxymugineic acid. Its functional parent is mugineic acid . It is a conjugate acid of 3-epi-3-hydroxymugineate(2-) . It is also related to or classified as tricarboxylic acid .
The molecule CC(C)[C@H](C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1 CC(C)[C@H](C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1 is flucythrinate. It has the role of agrochemical . 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 organofluorine insecticide , organofluorine acaricide .
The molecule C[C@H](CCCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of bkas#36. It is also related to or classified as organic molecular entity .
The molecule O=C1OC23C(=O)NC(C2C(C)C(=CC3C=C(CCC4C(C=C1)O4)C)C)CC(C)C O=C1OC23C(=O)NC(C2C(C)C(=CC3C=C(CCC4C(C=C1)O4)C)C)CC(C)C is Aspochalasin F. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule O1C2=C(C=C1C)C(C=C(C2=O)OC)=O O1C2=C(C=C1C)C(C=C(C2=O)OC)=O is A member of the class of 1-benzofurans that is 1-benzofuran-4,7-dione bearing additional methyl and methoxy substituents at positions 2 and 7 respectively. It is also related to or classified as p-quinones , 1-benzofurans .
The molecule C[C@H](CCCCCCCCCCCCCCC(=O)CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCC(=O)CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of bkas#34-CoA. It is also related to or classified as organic molecular entity .
The molecule O=C1N[C@@H](C(=O)O[C@@H]([C@@H](C=CC(=O)NCC=CC(=C[C@H](C[C@@H](CC2=NC1=CO2)O)O)C)C)C(C)C)C O=C1N[C@@H](C(=O)O[C@@H]([C@@H](C=CC(=O)NCC=CC(=C[C@H](C[C@@H](CC2=NC1=CO2)O)O)C)C)C(C)C)C is A2315A. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule OC(=O)\C=C/CC(=O)C(O)=O OC(=O)\C=C/CC(=O)C(O)=O is an oxo dicarboxylic acid that is (Z)-2-hexenedioic acid in which the hydrogens at position 5 are substituted by an oxo group. Its functional parent is 2-hexenedioic acid . It is a conjugate acid of (Z)-5-oxohex-2-enedioate . It is also related to or classified as oxo dicarboxylic acid .
The molecule [O-][N+](=O)c1ccc(Cl)c(c1)[N+]([O-])=O [O-][N+](=O)c1ccc(Cl)c(c1)[N+]([O-])=O is A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. It has the role of sensitiser . It has the role of allergen . It has the role of epitope . It is also related to or classified as C-nitro compound , monochlorobenzenes .