EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H18O7 |
| Net Charge | 0 |
| Average Mass | 382.368 |
| Monoisotopic Mass | 382.10525 |
| SMILES | COc1ccc2oc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)c(C)c2c1 |
| InChI | InChI=1S/C21H18O7/c1-12-15-10-14(24-2)4-6-17(15)28-20(12)21(23)27-11-16(22)13-3-5-18-19(9-13)26-8-7-25-18/h3-6,9-10H,7-8,11H2,1-2H3 |
| InChIKey | FNAIHHDARUKRLP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester (CHEBI:117155) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28604 | LINCS |