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CHEBI:137960 - 4-hydroxyestrone 3-O-(β-D-glucuronide)
| Formula | C24H30O9 |
| Net Charge | 0 |
| Average Mass | 462.495 |
| Monoisotopic Mass | 462.18898 |
| SMILES | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3CC[C@@]21[H] |
| InChI | InChI=1S/C24H30O9/c1-24-9-8-11-10-4-6-15(32-23-20(29)18(27)19(28)21(33-23)22(30)31)17(26)13(10)3-2-12(11)14(24)5-7-16(24)25/h4,6,11-12,14,18-21,23,26-29H,2-3,5,7-9H2,1H3,(H,30,31)/t11-,12-,14+,18+,19+,20-,21+,23-,24+/m1/s1 |
| InChIKey | QAOFTFHHOWYCDI-WOKPNQEWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137960) has functional parent 4-hydroxyestrone (CHEBI:87602) |
| 4-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137960) is a 17-oxo steroid (CHEBI:19168) |
| 4-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137960) is a 4-hydroxy steroid (CHEBI:62846) |
| 4-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137960) is a steroid glucosiduronic acid (CHEBI:26763) |
| 4-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137960) is a β-D-glucosiduronic acid (CHEBI:15341) |
| 4-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137960) is conjugate acid of 4-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136969) |
| Incoming Relation(s) |
| 4-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136969) is conjugate base of 4-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137960) |
| IUPAC Name |
|---|
| 4-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| 4-OHE1 3G | ChEBI |
| 4-hydroxyestrone 3-O-glucuronide | ChEBI |
| 4-hydroxyestrone 3-β-glucuronide | ChEBI |
| 4-hydroxyestrone 3-glucuronide | ChEBI |
| 4-hydroxyestrone 3-O-(β-D-glucuronic acid) | ChEBI |
| 4-hydroxyestrone 3-β-D-glucuronide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:24400661 | Reaxys |
| Citations |
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