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/C1=C(C)CCCC1(C)C |
| InChI | InChI=1S/C41H58O2/c1-32(20-14-22-34(3)24-16-25-37(6)39(42)29-31-41(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)27-28-38-36(5)26-17-30-40(38,7)8/h12-16,18-25,27-28H,17,26,29-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,28-27+,32-18+,33-19+,34-22+,35-23+,37-25+ |
| InChIKey | VOXGPKABGLVWPB-XBIRMVLJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thiothece-474 (CHEBI:80416) is a xanthophyll (CHEBI:27325) |