EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C41H58O2 |
| Net Charge | 0 |
| Average Mass | 582.913 |
| Monoisotopic Mass | 582.44368 |
| SMILES | COC(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C |
| InChI | InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-27-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-28-38(7)29-18-30-39(8)40(42)31-32-41(9,10)43-11/h12-13,15-21,23-30H,14,22,31-32H2,1-11H3/b13-12+,23-15+,24-16+,27-17+,29-18+,34-20+,35-21+,36-25+,37-26+,38-28+,39-30+ |
| InChIKey | KAWQESUNKWSPBA-NMWBISKFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| R.g.-Keto I (CHEBI:80414) is a xanthophyll (CHEBI:27325) |