EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H36O6 |
| Net Charge | 0 |
| Average Mass | 432.557 |
| Monoisotopic Mass | 432.25119 |
| SMILES | CC(C)=CCC12CC(C(C)(C)O)OC1=C(CC1OC1(C)C)C(O)=C(C(=O)C(C)C)C2=O |
| InChI | InChI=1S/C25H36O6/c1-13(2)9-10-25-12-17(23(5,6)29)30-22(25)15(11-16-24(7,8)31-16)20(27)18(21(25)28)19(26)14(3)4/h9,14,16-17,27,29H,10-12H2,1-8H3 |
| InChIKey | VRWPCSFRFABCMK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Colupdox a (CHEBI:175497) is a benzofurans (CHEBI:35259) |
| IUPAC Name |
|---|
| 7-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-2-(2-hydroxypropan-2-yl)-3a-(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-2,3-dihydro-1-benzouran-4-one |