EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:203502 - Drimenol ester 6a
| Formula | C31H56O2 |
| Net Charge | 0 |
| Average Mass | 460.787 |
| Monoisotopic Mass | 460.42803 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H]1C(C)=CCC2C(C)(C)CCC[C@@]21C |
| InChI | InChI=1S/C31H56O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29(32)33-25-27-26(2)21-22-28-30(3,4)23-19-24-31(27,28)5/h21,27-28H,6-20,22-25H2,1-5H3/t27-,28?,31+/m0/s1 |
| InChIKey | BWVORMIFCYNAQK-NNNMJZHGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lactarius uvidus (ncbitaxon:152949) | - | PubMed (7964786) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Drimenol ester 6a (CHEBI:203502) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| [(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl hexadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 78441901 | ChemSpider |