EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H26O6 |
| Net Charge | 0 |
| Average Mass | 362.422 |
| Monoisotopic Mass | 362.17294 |
| SMILES | CCOC(=O)Cc1cc(O)cc2oc(CCCCC[C@H](C)O)cc(=O)c12 |
| InChI | InChI=1S/C20H26O6/c1-3-25-19(24)10-14-9-15(22)11-18-20(14)17(23)12-16(26-18)8-6-4-5-7-13(2)21/h9,11-13,21-22H,3-8,10H2,1-2H3/t13-/m0/s1 |
| InChIKey | NRXGHYGIYHFZNK-ZDUSSCGKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pestalotiopsisspecies (ncbitaxon:36460) | - | PubMed (19271764) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pestalotiopsone E (CHEBI:201059) is a chromones (CHEBI:23238) |
| IUPAC Name |
|---|
| ethyl 2-[7-hydroxy-2-(6-hydroxyheptyl)-4-oxochromen-5-yl]acetate |
| Manual Xrefs | Databases |
|---|---|
| 24620603 | ChemSpider |