Term: | 16-epiestriol 3-O-(beta-D-glucuronide) |
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Accession: | CHEBI:137720
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Definition: | A steroid glucosiduronic acid that is 16-epiestriol having a single beta-D-glucuronic acid residue attached at position 3. |
Synonyms: | exact_synonym: | 16beta,17beta-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid |
| related_synonym: | (16beta,17beta)-16,17-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid; 16beta,17beta-estriol 3-beta-D-glucuronide; 16beta-hydroxyestradiol 3-beta-D-glucuronide; Formula=C24H32O9; InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16+,17+,18+,19-,20+,21+,23-,24+/m1/s1; InChIKey=UZKIAJMSMKLBQE-FFLBMIEMSA-N; SMILES=C1=C2C(CC[C@]3([C@@]4(C[C@@H]([C@@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O |
| xref: | PMID:23288867; Reaxys:23416856 |
| cyclic_relationship: | is_conjugate_acid_of CHEBI:136885 |
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