EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:91592 - acetic acid (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester
| Formula | C20H26O3 |
| Net Charge | 0 |
| Average Mass | 314.425 |
| Monoisotopic Mass | 314.18819 |
| SMILES | CC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C |
| InChI | InChI=1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3 |
| InChIKey | QAHOQNJVHDHYRN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acetic acid (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester (CHEBI:91592) is a steroid ester (CHEBI:47880) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1398 | LINCS |