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CHEBI:215202 - Simplicildone G
| Formula | C24H26O7 |
| Net Charge | 0 |
| Average Mass | 426.465 |
| Monoisotopic Mass | 426.16785 |
| SMILES | Cc1cc(O)c(C)c2c1Oc1c(COC[C@@H]3C(=O)CC[C@H]3C)c(O)cc(C)c1C(=O)O2 |
| InChI | InChI=1S/C24H26O7/c1-11-5-6-17(25)15(11)9-29-10-16-19(27)7-12(2)20-23(16)30-21-13(3)8-18(26)14(4)22(21)31-24(20)28/h7-8,11,15,26-27H,5-6,9-10H2,1-4H3/t11-,15+/m1/s1 |
| InChIKey | TTWOOCZWNZORKF-ABAIWWIYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Simplicillium (ncbitaxon:292631) | - | PubMed (28803995) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Simplicildone G (CHEBI:215202) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 3,9-dihydroxy-1,4,7-trimethyl-10-[[(1R,2R)-2-methyl-5-oxocyclopentyl]methoxymethyl]benzo[b][1,4]benzodioxepin-6-one |
| Manual Xrefs | Databases |
|---|---|
| 78443444 | ChemSpider |