EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H26O7 |
| Net Charge | 0 |
| Average Mass | 402.443 |
| Monoisotopic Mass | 402.16785 |
| SMILES | CCC[C@H]1c2c(OC)cc(=O)oc2C[C@H]2[C@H](C)O[C@@H](OC)C3=C[C@H]4O[C@H]4C(=O)[C@]312 |
| InChI | InChI=1S/C22H26O7/c1-5-6-11-18-14(25-3)9-17(23)28-15(18)7-12-10(2)27-21(26-4)13-8-16-19(29-16)20(24)22(11,12)13/h8-12,16,19,21H,5-7H2,1-4H3/t10-,11-,12-,16+,19+,21+,22+/m0/s1 |
| InChIKey | XMZRXROVLVZVQL-JOABLRHPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Herpotrichia (ncbitaxon:45144) | - | PubMed (31874039) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Herpotrichone B (CHEBI:216994) is a pyranone (CHEBI:37963) |
| IUPAC Name |
|---|
| (1R,3R,5R,8R,10S,11R,19S)-8,17-dimethoxy-10-methyl-19-propyl-4,9,14-trioxapentacyclo[9.8.0.01,7.03,5.013,18]nonadeca-6,13(18),16-triene-2,15-dione |