EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C40H56O4 |
| Net Charge | 0 |
| Average Mass | 600.884 |
| Monoisotopic Mass | 600.41786 |
| SMILES | CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H](O)C(C)(C)O |
| InChI | InChI=1S/C40H56O4/c1-31(19-13-21-33(3)23-15-25-35(5)27-29-37(41)39(7,8)43)17-11-12-18-32(2)20-14-22-34(4)24-16-26-36(6)28-30-38(42)40(9,10)44/h11-30,37-38,41-44H,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,29-27+,30-28+,31-17+,32-18+,33-21+,34-22+,35-25+,36-26+/t37-,38-/m0/s1 |
| InChIKey | FREWEFHGNSZGSU-WICQBGSZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,2'S)-Oscillol (CHEBI:80412) is a xanthophyll (CHEBI:27325) |
| Manual Xrefs | Databases |
|---|---|
| C16274 | KEGG COMPOUND |