EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H34O5 |
| Net Charge | -2 |
| Average Mass | 414.542 |
| Monoisotopic Mass | 414.24172 |
| SMILES | CC1=C([O-])C(C(=O)[O-])=C(C)[C@@](C)(C/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C1=O |
| InChI | InChI=1S/C25H36O5/c1-15(11-12-19-24(5,6)30-19)9-8-10-16(2)13-14-25(7)18(4)20(23(28)29)21(26)17(3)22(25)27/h9,13,19,26H,8,10-12,14H2,1-7H3,(H,28,29)/p-2/b15-9+,16-13+/t19-,25+/m0/s1 |
| InChIKey | UAGATZVLKBZLFU-RKWYXZQCSA-L |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3R)-[(10S)-11-epoxyfarnesyl]-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate (CHEBI:167682) is a oxo monocarboxylic acid anion (CHEBI:35902) |
| UniProt Name | Source |
|---|---|
| (3R)-[(10S)-11-epoxyfarnesyl]-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate | UniProt |
| Citations |
|---|