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CHEBI:193573 - isomiroestrol
| Formula | C20H22O6 |
| Net Charge | 0 |
| Average Mass | 358.390 |
| Monoisotopic Mass | 358.14164 |
| SMILES | [H]C12C[C@]3(O)CC(=O)C(=C4[C@H](O)Oc5cc(O)ccc5[C@@]4([H])C1(C)C)[C@]2([H])[C@H]3O |
| InChI | InChI=1S/C20H22O6/c1-19(2)10-6-20(25)7-11(22)14(13(10)17(20)23)15-16(19)9-4-3-8(21)5-12(9)26-18(15)24/h3-5,10,13,16-18,21,23-25H,6-7H2,1-2H3/t10-,13+,16+,17+,18+,20+/m0/s1 |
| InChIKey | QHHNPAAZNFEYEN-SVYRBVINSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pueraria candollei var. mirifica (ncbitaxon:861244) | Root (BTO:0001188) | PubMed (28115391) | Species also known as Pueraria mirifica. |
| Roles Classification |
|---|
| Biological Roles: | phytoestrogen Any compound produced by a plant that happens to have estrogenic activity. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isomiroestrol (CHEBI:193573) has functional parent miroestrol (CHEBI:6949) |
| isomiroestrol (CHEBI:193573) has role phytoestrogen (CHEBI:76989) |
| isomiroestrol (CHEBI:193573) has role plant metabolite (CHEBI:76924) |
| isomiroestrol (CHEBI:193573) is a cyclic ether (CHEBI:37407) |
| isomiroestrol (CHEBI:193573) is a cyclic ketone (CHEBI:3992) |
| isomiroestrol (CHEBI:193573) is a organic heteropentacyclic compound (CHEBI:38164) |
| isomiroestrol (CHEBI:193573) is a phenols (CHEBI:33853) |
| isomiroestrol (CHEBI:193573) is a tetrol (CHEBI:33573) |
| IUPAC Name |
|---|
| (1R,5R,10bR,12aR)-1,2,5,8-tetrahydroxy-11,11-dimethyl-2,3,10b,11,12,12a-hexahydro-1H-2,12-methanobenzo[b]naphtho[2,1-d]pyran-4(5H)-one |
| Synonym | Source |
|---|---|
| (+)-isomiroestrol | ChEBI |
| Citations |
|---|