EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22O8 |
| Net Charge | 0 |
| Average Mass | 390.388 |
| Monoisotopic Mass | 390.13147 |
| SMILES | COC(=O)c1c(C)c(Oc2cc(C)cc(O)c2COC(C)=O)c(O)c(C)c1O |
| InChI | InChI=1S/C20H22O8/c1-9-6-14(22)13(8-27-12(4)21)15(7-9)28-19-10(2)16(20(25)26-5)17(23)11(3)18(19)24/h6-7,22-24H,8H2,1-5H3 |
| InChIKey | LYMCLDFTNVQAAY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phomopsis (ncbitaxon:34399) | - | DOI (10.1002/ejoc.200500471) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Phomosine F (CHEBI:209688) is a aromatic ether (CHEBI:35618) |
| IUPAC Name |
|---|
| methyl 5-[2-(acetyloxymethyl)-3-hydroxy-5-methylphenoxy]-2,4-dihydroxy-3,6-dimethylbenzoate |
| Manual Xrefs | Databases |
|---|---|
| 9842977 | ChemSpider |