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CHEBI:107639 - 8,10-dichloro-9-hydroxy-3-methoxy-1,7-dimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester
| Formula | C18H14Cl2O7 |
| Net Charge | 0 |
| Average Mass | 413.209 |
| Monoisotopic Mass | 412.01166 |
| SMILES | COC(=O)c1c(OC)cc2c(c1C)Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 |
| InChI | InChI=1S/C18H14Cl2O7/c1-6-11-16(13(20)14(21)12(6)19)27-15-7(2)10(17(22)25-4)8(24-3)5-9(15)26-18(11)23/h5,21H,1-4H3 |
| InChIKey | RPHAAJGBADUATP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8,10-dichloro-9-hydroxy-3-methoxy-1,7-dimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester (CHEBI:107639) is a carbonyl compound (CHEBI:36586) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18999 | LINCS |