EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C40H56O2 |
| Net Charge | 0 |
| Average Mass | 568.886 |
| Monoisotopic Mass | 568.42803 |
| SMILES | C/C(=C/C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(/C)C1C=C2C(C)(C)CCCC2(C)O1)C1C=C2C(C)(C)CCCC2(C)O1 |
| InChI | InChI=1S/C40H56O2/c1-29(19-13-21-31(3)33-27-35-37(5,6)23-15-25-39(35,9)41-33)17-11-12-18-30(2)20-14-22-32(4)34-28-36-38(7,8)24-16-26-40(36,10)42-34/h11-14,17-22,27-28,33-34H,15-16,23-26H2,1-10H3/b12-11-,19-13-,20-14+,29-17+,30-18+,31-21-,32-22- |
| InChIKey | JLFOTJPFBATTLK-KBGQBOCOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aurochrome (CHEBI:176091) is a tetraterpenoid (CHEBI:26935) |
| IUPAC Name |
|---|
| 2-[(2Z,4Z,6E,8Z,10E,12E,14Z)-15-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzouran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzouran |
| Manual Xrefs | Databases |
|---|---|
| 35014290 | ChemSpider |
| HMDB0036877 | HMDB |