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CHEBI:137723 - 16-epiestriol 16-O-(β-D-glucuronide)
| Formula | C24H32O9 |
| Net Charge | 0 |
| Average Mass | 464.511 |
| Monoisotopic Mass | 464.20463 |
| SMILES | [H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21[H] |
| InChI | InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/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 | FQYGGFDZJFIDPU-FFLBMIEMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 16-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137723) has functional parent 16β-hydroxyestradiol (CHEBI:87620) |
| 16-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137723) is a steroid glucosiduronic acid (CHEBI:26763) |
| 16-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137723) is a β-D-glucosiduronic acid (CHEBI:15341) |
| 16-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137723) is conjugate acid of 16-epiestriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136886) |
| Incoming Relation(s) |
| 16-epiestriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136886) is conjugate base of 16-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137723) |
| IUPAC Name |
|---|
| 3,17β-dihydroxyestra-1(10),2,4-trien-16β-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| (16β,17β)-3,17-dihydroxyestra-1(10),2,4-trien-16-yl β-D-glucopyranosiduronic acid | IUPAC |
| 16β,17β-estriol 16-β-D-glucuronide | ChEBI |
| 16β,17β-estriol 16-O-(β-D-glucuronide) | ChEBI |
| 16β-hydroxyestradiol 16-β-D-glucuronide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:23416855 | Reaxys |
| Citations |
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