EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:212589 - 6-tricyclohumulane-4alpha, 8alpha, 10alpha-triol
| Formula | C17H28O4 |
| Net Charge | 0 |
| Average Mass | 296.407 |
| Monoisotopic Mass | 296.19876 |
| SMILES | CC(=O)O[C@H]1C2C([C@H]3[C@@H]1C3(C)C)[C@](C)(O)CCC[C@]2(C)O |
| InChI | InChI=1S/C17H28O4/c1-9(18)21-14-12-10(15(12,2)3)11-13(14)17(5,20)8-6-7-16(11,4)19/h10-14,19-20H,6-8H2,1-5H3/t10-,11?,12-,13?,14+,16+,17-/m0/s1 |
| InChIKey | GMVSBFBQBSROPT-XYWISWKUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mucor circinelloides (ncbitaxon:36080) | - | DOI (10.1016/s0031-9422(01)00412-5) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-tricyclohumulane-4alpha, 8alpha, 10alpha-triol (CHEBI:212589) is a tertiary alcohol (CHEBI:26878) |
| IUPAC Name |
|---|
| [(1aR,2R,6S,7R,7aR)-2,6-dihydroxy-1,1,2,6-tetramethyl-1a,1b,3,4,5,6a,7,7a-octahydrocyclopropa[a]azulen-7-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 78443578 | ChemSpider |