EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H26O2 |
| Net Charge | 0 |
| Average Mass | 310.437 |
| Monoisotopic Mass | 310.19328 |
| SMILES | [H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@]12[H] |
| InChI | InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1 |
| InChIKey | VWAUPFMBXBWEQY-ANULTFPQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | hTERT-RPE1 cell (BTO:0004790) | MetaboLights (MTBLS682) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Altrenogest (CHEBI:191255) is a 3-hydroxy steroid (CHEBI:36834) |
| IUPAC Name |
|---|
| (8S,13S,14S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |