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CHEBI:79956 - 13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone
| Formula | C20H28O4 |
| Net Charge | 0 |
| Average Mass | 332.440 |
| Monoisotopic Mass | 332.19876 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)OC(=O)CC[C@@]34[H])[C@@]1(C)C/C(=C/O)C(=O)C2 |
| InChI | InChI=1S/C20H28O4/c1-19-10-12(11-21)17(22)9-13(19)3-4-14-15(19)7-8-20(2)16(14)5-6-18(23)24-20/h11,13-16,21H,3-10H2,1-2H3/b12-11-/t13-,14+,15-,16-,19-,20-/m0/s1 |
| InChIKey | IAEXPESVUCYINT-AIRXXWQKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone (CHEBI:79956) is a organic heterotricyclic compound (CHEBI:26979) |
| 13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone (CHEBI:79956) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| C15459 | KEGG COMPOUND |