EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24O6 |
| Net Charge | 0 |
| Average Mass | 372.417 |
| Monoisotopic Mass | 372.15729 |
| SMILES | COc1c([C@@H](CO)C(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 |
| InChI | InChI=1S/C21H24O6/c1-11(2)15(9-22)14-5-6-17-18(20(14)25-4)21(24)26-10-13-7-12(3)8-16(23)19(13)27-17/h5-8,11,15,22-23H,9-10H2,1-4H3/t15-/m0/s1 |
| InChIKey | IYUVXRIYTHLTLH-HNNXBMFYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pestalotiopsis palmarum (ncbitaxon:173185) | - | PubMed (29295796) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sinopestalotiollide C (CHEBI:215423) is a aromatic ether (CHEBI:35618) |
| IUPAC Name |
|---|
| 6-hydroxy-2-(1-hydroxy-3-methylbutan-2-yl)-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one |
| Manual Xrefs | Databases |
|---|---|
| 90670738 | ChemSpider |