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CHEBI:137966 - 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)
| Formula | C25H34O9 |
| Net Charge | 0 |
| Average Mass | 478.538 |
| Monoisotopic Mass | 478.22028 |
| SMILES | [H][C@@]12CCc3c(ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3OC)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] |
| InChI | InChI=1S/C25H34O9/c1-25-10-9-12-11-5-7-16(33-24-20(29)18(27)19(28)22(34-24)23(30)31)21(32-2)14(11)4-3-13(12)15(25)6-8-17(25)26/h5,7,12-13,15,17-20,22,24,26-29H,3-4,6,8-10H2,1-2H3,(H,30,31)/t12-,13-,15+,17+,18+,19+,20-,22+,24-,25+/m1/s1 |
| InChIKey | KBFMKDGMUPKRND-UTXOSXIHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) has functional parent 4-methoxy-17β-estradiol (CHEBI:136975) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is a 17β-hydroxy steroid (CHEBI:35343) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is a aromatic ether (CHEBI:35618) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is a steroid glucosiduronic acid (CHEBI:26763) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is a β-D-glucosiduronic acid (CHEBI:15341) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is conjugate acid of 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136976) |
| Incoming Relation(s) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136976) is conjugate base of 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) |
| IUPAC Name |
|---|
| 17β-hydroxy-4-methoxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| 4-methoxy-17β-estradiol 3-glucuronide | ChEBI |
| 4-methoxy-17β-estradiol 3-O-glucuronide | ChEBI |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronic acid) | ChEBI |
| 4-methoxyestradiol 3-O-glucuronide | ChEBI |
| 4-methoxy-17β-estradiol 3-β-glucuronide | ChEBI |
| 4-methoxyestradiol 3-glucuronide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:24400665 | Reaxys |
| Citations |
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