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CHEBI:215220 - Simplicildone E
| Formula | C25H24O7 |
| Net Charge | 0 |
| Average Mass | 436.460 |
| Monoisotopic Mass | 436.15220 |
| SMILES | COc1cc(O)cc(C)c1Cc1c(O)cc(C)c2c1Oc1c(C)cc(O)c(C)c1OC2=O |
| InChI | InChI=1S/C25H24O7/c1-11-6-15(26)9-20(30-5)16(11)10-17-19(28)7-12(2)21-24(17)31-22-13(3)8-18(27)14(4)23(22)32-25(21)29/h6-9,26-28H,10H2,1-5H3 |
| InChIKey | CBJOKDWXABRKTI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Simplicillium (ncbitaxon:292631) | - | PubMed (28803995) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Simplicildone E (CHEBI:215220) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 3,9-dihydroxy-10-[(4-hydroxy-2-methoxy-6-methylphenyl)methyl]-1,4,7-trimethylbenzo[b][1,4]benzodioxepin-6-one |
| Manual Xrefs | Databases |
|---|---|
| 78436053 | ChemSpider |