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CHEBI:215214 - Simplicildone D
| Formula | C25H24O7 |
| Net Charge | 0 |
| Average Mass | 436.460 |
| Monoisotopic Mass | 436.15220 |
| SMILES | COc1cc(C)c(Cc2c(O)cc(C)c3c2Oc2c(C)cc(O)c(C)c2OC3=O)c(O)c1 |
| InChI | InChI=1S/C25H24O7/c1-11-6-15(30-5)9-20(28)16(11)10-17-19(27)7-12(2)21-24(17)31-22-13(3)8-18(26)14(4)23(22)32-25(21)29/h6-9,26-28H,10H2,1-5H3 |
| InChIKey | VFKCORLMSMHXLI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Simplicillium (ncbitaxon:292631) | - | PubMed (28803995) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Simplicildone D (CHEBI:215214) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 3,9-dihydroxy-10-[(2-hydroxy-4-methoxy-6-methylphenyl)methyl]-1,4,7-trimethylbenzo[b][1,4]benzodioxepin-6-one |
| Manual Xrefs | Databases |
|---|---|
| 78436052 | ChemSpider |