anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O([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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO[C@@]4(C[C@@H]([C@H]([C@@](O4)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O)O)C(=O)O)O)O)O)O)NC(C)=O)C[C@H]5O[C@H]([C@H]([C@H]([C@@H]5O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO[C@@]9(C[C@@H]([C@H]([C@@](O9)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O)O)C(=O)O)O)O)O)O)NC(C)=O)O)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@@H]%11CO[C@H]%12[C@H]([C@@H]([C@@H]([C@@H](O%12)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O O([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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO[C@@]4(C[C@@H]([C@H]([C@@](O4)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O)O)C(=O)O)O)O)O)O)NC(C)=O)C[C@H]5O[C@H]([C@H]([C@H]([C@@H]5O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO[C@@]9(C[C@@H]([C@H]([C@@](O9)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O)O)C(=O)O)O)O)O)O)NC(C)=O)O)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@@H]%11CO[C@H]%12[C@H]([C@@H]([C@@H]([C@@H](O%12)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O is A branched amino oligosaccharide that is a dodecasaccharide derivative comprising a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues all linked in sequence (1->4), to the reducing-end N-acetyl-beta-D-glucosamine residue of which is linked (1->6) an alpha-L-fucosyl residue, while to the beta-D-mannose residue are linked two N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl tetrasaccharide units via (1->3) and (1->6) linkages. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .
The molecule OC1=CC(CCC2=CC(O)=CC=C2)=CC(O)=C1 OC1=CC(CCC2=CC(O)=CC=C2)=CC(O)=C1 is A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 3' and 5. It has the role of plant metabolite . It is also related to or classified as polyphenol , resorcinols , diphenylethane .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)NC(C)=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)NC(=O)C)O[C@@H]6[C@@H]([C@@H](O[C@@H]([C@H]6O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(C)=O)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O)NC(C)=O)O)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O)O)O)NC(=O)C)O[C@H]%13[C@@H]([C@H]([C@@H](O[C@@H]%13CO)O[C@H]%14[C@@H]([C@H](C(O[C@@H]%14CO[C@H]%15[C@H]([C@@H]([C@@H]([C@@H](O%15)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O)O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)NC(C)=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)NC(=O)C)O[C@@H]6[C@@H]([C@@H](O[C@@H]([C@H]6O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(C)=O)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O)NC(C)=O)O)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O)O)O)NC(=O)C)O[C@H]%13[C@@H]([C@H]([C@@H](O[C@@H]%13CO)O[C@H]%14[C@@H]([C@H](C(O[C@@H]%14CO[C@H]%15[C@H]([C@@H]([C@@H]([C@@H](O%15)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O)O is A branched amino oligosaccharide that is an pentasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which are linked an N-acetyl-beta-D-glucosaminyl residue [via a (1->4) linkage], a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)]-alpha-D-mannosyl branched pentasaccharide unit [linked (1->3)], and a branched beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl branched pentasaccharide unit [linked (1->6)], while to the N-acetyl-D-glucosamine residue at the reducing end is linked (1->6) an alpha-L-fucose residue. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .
The molecule C1=C(C=C(N=C1)CC)C(=S=O)N C1=C(C=C(N=C1)CC)C(=S=O)N is A member of the class of pyridines that is the S-oxide and active metabolite of the antitubercular drug ethionamide. It has the role of antitubercular agent . It has the role of antilipemic drug . It has the role of leprostatic drug . It has the role of fatty acid synthesis inhibitor . It has the role of human xenobiotic metabolite . Its functional parent is ethionamide . It is also related to or classified as pyridines .
The molecule [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CCC4=CC(=CC=C4)O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CCC4=CC(=CC=C4)O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(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 3-(3-hydroxyphenyl)propanoic acid. Its functional parent is 3-(3-hydroxyphenyl)propanoic acid . It is a conjugate acid of 3-(m-hydroxyphenyl)propanoyl-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule [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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)NC(C)=O)O [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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)NC(C)=O)O is an amino tetrasaccharide comprising alpha-D-galactose, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) alpha-D-mannose residues linked sequentially (1->3), (1->3) and (1->2). It is also related to or classified as glucosamine oligosaccharide , amino tetrasaccharide .
The molecule [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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(C)=O)O)NC(C)=O)O [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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(C)=O)O)NC(C)=O)O is an amino trisaccharide comprising N-acetyl-beta-D-galactosaminyl, N-acetyl-beta-D-glucosaminyl and alpha-D-mannose residues linked sequentially (1->4) and (1->2). It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino trisaccharide .
The molecule O=CC(CCCC)CC O=CC(CCCC)CC is A saturated fatty aldehyde that is heptane in which one of the hydrogens at position 3 has been replaced by a formyl group. It is a metabolite of the plasticisers di-2-ethylhexyl phthalate (DEHP) and di-2-ethylhexyl adipate (DEHA). It has the role of fungal metabolite . It has the role of bacterial xenobiotic metabolite . It is also related to or classified as saturated fatty aldehyde  .
The molecule O(CC(CCCC)CC)S([O-])(=O)=O O(CC(CCCC)CC)S([O-])(=O)=O is A organosulfate oxoanion that is the conjugate base of 2-ethylhexyl sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as organosulfate oxoanion  .
The molecule C1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(O)(=O)=O)O)O)NC(C)=O)O)NC(=O)C)O C1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(O)(=O)=O)O)O)NC(C)=O)O)NC(=O)C)O is an amino disaccharide that consists of N-acetyl-D-glucosamine having an N-acetyl-6-O-sulfo-beta-D-galactosaminyl residue attached at O-4. It is also related to or classified as amino disaccharide , galactosamine oligosaccharide , glucosamine oligosaccharide .
The molecule OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O is A ribitol phosphate that is D-ribitol carrying a single monophosphate substituent at position 1. Its functional parent is ribitol . It is a conjugate acid of D-ribitol 1-phosphate(2-) . It is also related to or classified as alditol 1-phosphate , ribitol phosphate .
The molecule C1=CC(=NC(N1[C@@H]2O[C@H](COP([O-])(=O)[O-])[C@H]([C@H]2O)O)=O)N.[Na+].[Na+] C1=CC(=NC(N1[C@@H]2O[C@H](COP([O-])(=O)[O-])[C@H]([C@H]2O)O)=O)N.[Na+].[Na+] is an organic sodium salt that is the disodium salt of CMP. It has the role of human metabolite . It is also related to or classified as organic sodium salt .
The molecule [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)NC(=O)C)O[C@@H]3[C@@H]([C@@H](O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(C)=O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7CO)O[C@H]8[C@@H]([C@H](C(O[C@@H]8CO[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O)O [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)NC(=O)C)O[C@@H]3[C@@H]([C@@H](O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(C)=O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7CO)O[C@H]8[C@@H]([C@H](C(O[C@@H]8CO[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O)O is A branched amino nonasaccharide consisting of a linear trisaccharide of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which are linked an N-acetyl-beta-D-glucosaminyl residue [via a (1->4) linkage] and two N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl disaccharide units [linked (1->3) and (1->6)], while to the N-acetyl-D-glucosamine residue at the reducing end is linked (1->6) an alpha-L-fucose residue. It is also related to or classified as glucosamine oligosaccharide , amino nonasaccharide .
The molecule [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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)NC(=O)C)O[C@@H]4[C@@H]([C@@H](O[C@@H]([C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(C)=O)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)O[C@H]%10[C@@H]([C@H](C(O[C@@H]%10CO[C@H]%11[C@H]([C@@H]([C@@H]([C@@H](O%11)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O)O [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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)NC(=O)C)O[C@@H]4[C@@H]([C@@H](O[C@@H]([C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(C)=O)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)O[C@H]%10[C@@H]([C@H](C(O[C@@H]%10CO[C@H]%11[C@H]([C@@H]([C@@H]([C@@H](O%11)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O)O is A branched amino oligosaccharide that is an undecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which are linked an N-acetyl-beta-D-glucosaminyl residue [via a (1->4) linkage] and two beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear trisaccharide units [linked (1->3) and (1->6)], while to the N-acetyl-D-glucosamine residue at the reducing end is linked (1->6) an alpha-L-fucose residue. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .
The molecule O[C@H]1[C@@H]([C@@H](C/C=C\CCCC(=O)O)C(C1)=O)/C=C/[C@@H](O)CCC2=CC=CC=C2 O[C@H]1[C@@H]([C@@H](C/C=C\CCCC(=O)O)C(C1)=O)/C=C/[C@@H](O)CCC2=CC=CC=C2 is A prostanoid that is 18,19,20-trinor-prostaglandin E2 in which one of the terminal methyl hydrogens has been replaced by a phenyl group. It has the role of prostaglandin receptor agonist . It has the role of human metabolite . It is also related to or classified as prostanoid  . It is also related to or classified as secondary alcohol  . It is also related to or classified as hydroxy monocarboxylic acid , oxo monocarboxylic acid , alicyclic ketone , beta-hydroxy ketone , olefinic compound .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)NC(=O)C)O [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)NC(=O)C)O is A disaccharide phosphate that is N-acetylbeta-D-glucosamine having a 6-O-phospho-beta-D-galactosyl residue attached at O-4. It is also related to or classified as amino disaccharide , glucosamine oligosaccharide , disaccharide phosphate .
The molecule C(=O)([C@@H](NC(C)=O)CCS(C)(=O)=O)[O-] C(=O)([C@@H](NC(C)=O)CCS(C)(=O)=O)[O-] is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-methionine sulfone, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-acetyl-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(NCC([O-])=O)=O)C)[H])[H])C)[H])C.[Na+] C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(NCC([O-])=O)=O)C)[H])[H])C)[H])C.[Na+] is A bile acid salt that is the sodium salt of glycochenodeoxycholic acid. It has the role of human metabolite . It is also related to or classified as bile acid salt , organic sodium salt .
The molecule [Si](N([Si](C)(C)C)C=1N(C(O[Si](C)(C)C)=CN1)C)(C)(C)C [Si](N([Si](C)(C)C)C=1N(C(O[Si](C)(C)C)=CN1)C)(C)(C)C is A member of the class of imidazoles that is 1-methylimidazole substituted by bis(trimethylsilyl)amino and trimethylsilyl groups at positions 2 and 5 respectively.  It is also related to or classified as silyl ether  . It is also related to or classified as imidazoles , N-silyl compound .
The molecule O(CC(CCCC)CC)S(O)(=O)=O O(CC(CCCC)CC)S(O)(=O)=O is an alkyl sulfate that is the mono(2-ethylhexyl) ester of sulfuric acid. It has the role of surfactant . It has the role of carcinogenic agent . Its functional parent is 2-ethylhexan-1-ol . It is a conjugate acid of 2-ethylhexyl sulfate(1-) . It is also related to or classified as alkyl sulfate .
The molecule OC[C@H]([C@H]([C@H](COP(=O)([O-])[O-])O)O)O OC[C@H]([C@H]([C@H](COP(=O)([O-])[O-])O)O)O is an organophosphate oxoanion arising from deprotonation of both phosphate OH groups of D-ribitol 1-phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule O1C(O)[C@H](OC(CCCC([O-])=O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] O1C(O)[C@H](OC(CCCC([O-])=O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] is A nucleotide-sugar oxoanion arising from deprotonation of the carboxy and diphosphate groups of 2''-O-glutaryl-ADP-D-ribose; major species at pH 7.3. It is also related to or classified as O-acyl-ADP-D-ribose(2-)  . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule O=C1[C@@H]([C@@H](C/C=C\CCCC(=O)O)[C@H](C1)O)/C=C/[C@@H](O)CCC2=CC=CC=C2 O=C1[C@@H]([C@@H](C/C=C\CCCC(=O)O)[C@H](C1)O)/C=C/[C@@H](O)CCC2=CC=CC=C2 is A prostanoid that is 18,19,20-trinor-prostaglandin D2 in which one of the terminal methyl hydrogens has been replaced by a phenyl group. It has the role of human metabolite . It is also related to or classified as prostanoid  . It is also related to or classified as secondary alcohol  . It is also related to or classified as hydroxy monocarboxylic acid , oxo monocarboxylic acid , alicyclic ketone , beta-hydroxy ketone , olefinic compound .
The molecule C(=O)([C@@H](NC(C)=O)CCS(C)(=O)=O)O C(=O)([C@@H](NC(C)=O)CCS(C)(=O)=O)O is an N-acyl-L-alpha-amino acid that is N-acetyl-L-methionine where the sulfur is oxidised to the corresponding sulfone. Its functional parent is N-acetyl-L-methionine . It is a conjugate acid of N-acetyl-L-methionine sulfone(1-) .  It is also related to or classified as sulfone  . It is also related to or classified as N-acetyl-L-amino acid , N-acyl-L-alpha-amino acid , L-methionine derivative .
The molecule OC(=O)[C@H](CCS(=N)(=O)C)NC(C)=O OC(=O)[C@H](CCS(=N)(=O)C)NC(C)=O is an N-acyl-L-alpha-amino acid that is L-methionine sulfoximine in which a hydrogen attached to the nitrogen is replaced by an acetyl group. It is a conjugate acid of N-acetyl-L-methionine sulfoximine(1-) .  It is also related to or classified as sulfoximide  . It is also related to or classified as N-acetyl-L-amino acid , N-acyl-L-alpha-amino acid , L-methionine derivative .
The molecule [Na+].C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@]4([H])[C@@H](CCC(NCC([O-])=O)=O)C)[H])C)O)[H])C [Na+].C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@]4([H])[C@@H](CCC(NCC([O-])=O)=O)C)[H])C)O)[H])C is A bile acid salt that is the sodium salt of glycodeoxycholic acid. It has the role of human metabolite . It is also related to or classified as bile acid salt , organic sodium salt .
The molecule O1C(O)[C@H](OC(CC([O-])=O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] O1C(O)[C@H](OC(CC([O-])=O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] is A nucleotide-sugar oxoanion arising from deprotonation of the carboxy and diphosphate groups of 2''-O-malonyl-ADP-D-ribose; major species at pH 7.3. It is also related to or classified as O-acyl-ADP-D-ribose(2-)  . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule [O-]C(=O)[C@H](CCS(=N)(=O)C)NC(C)=O [O-]C(=O)[C@H](CCS(=N)(=O)C)NC(C)=O is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-methionine sulfoximine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-acetyl-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule O1C(O)[C@H](OC(CCC(=O)[O-])=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] O1C(O)[C@H](OC(CCC(=O)[O-])=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] is A nucleotide-sugar oxoanion arising from deprotonation of the carboxy and diphosphate groups of 2''-O-succinyl-ADP-D-ribose; major species at pH 7.3. It is also related to or classified as O-acyl-ADP-D-ribose(2-)  . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule O1C(O)[C@H](OC(CCCC(O)=O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)O)(=O)O O1C(O)[C@H](OC(CCCC(O)=O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)O)(=O)O is A nucleotide-sugar having ADP as the nucleotide fragment and 2-O-glutaryl-D-ribofuranos-5-yl as the sugar component. Its functional parent is ADP-D-ribose . It is a conjugate acid of 2''-O-glutaryl-ADP-D-ribose(3-) . It is also related to or classified as nucleotide-sugar  .
The molecule O[C@@H](COP(=O)(OCCN)O)CO/C=C\CCCCCCCCCCCCCCCC O[C@@H](COP(=O)(OCCN)O)CO/C=C\CCCCCCCCCCCCCCCC is A 1-(Z-alk-1-enyl)-sn-glycero-3-phosphoethanolamine in which the Z-alk-1-enyl group is specified as (1Z)-octadec-1-enyl. It is also related to or classified as 1-(Z-alk-1-enyl)-sn-glycero-3-phosphoethanolamine  .
The molecule O1C(O)[C@H](OC(CCC(=O)O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)O)(=O)O O1C(O)[C@H](OC(CCC(=O)O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)O)(=O)O is A nucleotide-sugar having ADP as the nucleotide fragment and 2-O-succinyl-D-ribofuranos-5-yl as the sugar component. Its functional parent is ADP-D-ribose . It is a conjugate acid of 2''-O-succinyl-ADP-D-ribose(3-) .  It is also related to or classified as nucleotide-sugar  . It is also related to or classified as hemisuccinate .
The molecule N1=C(C[C@@H](C1)O)C(O)=O N1=C(C[C@@H](C1)O)C(O)=O is A 4-hydroxy-1-pyrroline-2-carboxylic acid in which the 4-hydroxy group has S-configuration. It is a conjugate acid of (S)-4-hydroxy-1-pyrroline-2-carboxylate . It is also related to or classified as 4-hydroxy-1-pyrroline-2-carboxylic acid  .
The molecule N1=C(C[C@@H](C1)O)C([O-])=O N1=C(C[C@@H](C1)O)C([O-])=O is A 1-pyrrolinecarboxylate that is the conjugate base of (S)-3-hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3. It is also related to or classified as 1-pyrrolinecarboxylate , hydroxy monocarboxylic acid anion .
The molecule [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)O[C@@H](C(O)=O)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)O[C@@H](C(O)=O)CO is A glycoside consisting of D-glyceric acid having an alpha-D-mannosyl-(1->2)-alpha-D-glucosyl residue attached at position 2 via a glycosidic linkage. It has the role of marine metabolite . It has the role of bacterial metabolite . Its functional parent is D-glyceric acid . It is a conjugate acid of 2-O-[alpha-D-mannosyl-(1->2)-alpha-D-glucosyl]-D-glycerate . It is also related to or classified as glycoside  . It is also related to or classified as 3-hydroxy carboxylic acid , disaccharide derivative .
The molecule [H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@@]11[C@H](C=C(C)[C@H]2C)\C=C\C[C@H](C)C(=O)[C@@H](C)\C=C\C1=O [H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@@]11[C@H](C=C(C)[C@H]2C)\C=C\C[C@H](C)C(=O)[C@@H](C)\C=C\C1=O is A cytochalasan alkaloid found in Aspergillus clavatus. It has the role of Aspergillus metabolite .   It is also related to or classified as macrocycle  . It is also related to or classified as enone  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , gamma-lactam , cytochalasan alkaloid .
The molecule [H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@]11OC(=O)C\C=C(C)\C(=O)[C@@H](C)C\C=C\[C@H]1C=C(C)[C@H]2C [H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@]11OC(=O)C\C=C(C)\C(=O)[C@@H](C)C\C=C\[C@H]1C=C(C)[C@H]2C is A cytochalasan alkaloid found in Aspergillus clavatus. It has the role of Aspergillus metabolite . It is also related to or classified as macrolide  .   It is also related to or classified as enone  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , gamma-lactam , cytochalasan alkaloid .
The molecule [C@@H]1([C@H](CC[NH2+]1)O)C([O-])=O [C@@H]1([C@H](CC[NH2+]1)O)C([O-])=O is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of cis-3-hydroxy-D-proline; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule [H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@]11OC(=O)O\C=C\[C@H](C)C(=O)[C@@H](C)C\C=C\[C@H]1C=C(C)[C@H]2C [H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@]11OC(=O)O\C=C\[C@H](C)C(=O)[C@@H](C)C\C=C\[C@H]1C=C(C)[C@H]2C is A cytochalasan alkaloid found in Aspergillus clavatus. It has the role of Aspergillus metabolite .    It is also related to or classified as macrocycle  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , cyclic carbonate ester , gamma-lactam , cytochalasan alkaloid .
The molecule O1C(O)[C@H](OC(CC(O)=O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)O)(=O)O O1C(O)[C@H](OC(CC(O)=O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)O)(=O)O is A nucleotide-sugar having ADP as the nucleotide fragment and 2-O-malonyl-D-ribofuranos-5-yl as the sugar component. Its functional parent is ADP-D-ribose . It is a conjugate acid of 2''-O-malonyl-ADP-D-ribose(3-) . It is also related to or classified as nucleotide-sugar  .