EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H24O7 |
| Net Charge | 0 |
| Average Mass | 400.427 |
| Monoisotopic Mass | 400.15220 |
| SMILES | COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)cc2O)c(CC=C(C)C)c1O |
| InChI | InChI=1S/C22H24O7/c1-11(2)6-7-15-17(9-13(4)19(20(15)25)21(26)28-5)29-22(27)18-12(3)8-14(23)10-16(18)24/h6,8-10,23-25H,7H2,1-5H3 |
| InChIKey | BYLVJFILUIVPAV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stereum hirsutum (ncbitaxon:40492) | - | PubMed (25029175) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sterenin F (CHEBI:227704) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| methyl 4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methyl-3-(3-methylbut-2-enyl)benzoate |
| Manual Xrefs | Databases |
|---|---|
| 78435370 | ChemSpider |