EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H20O7 |
| Net Charge | 0 |
| Average Mass | 396.395 |
| Monoisotopic Mass | 396.12090 |
| SMILES | Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(Oc2cc(C)cc(O)c2O)c1 |
| InChI | InChI=1S/C22H20O7/c1-11-4-15(28-19-7-12(2)6-18(25)21(19)26)10-16(5-11)29-22(27)20-13(3)8-14(23)9-17(20)24/h4-10,23-26H,1-3H3 |
| InChIKey | YYVCPKSKHKQELO-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (33480256) | |
| Aspergillus versicolor (ncbitaxon:46472) | - | DOI (10.1016/j.tet.2015.10.038) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aspergilol D (CHEBI:219420) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| [3-(2,3-dihydroxy-5-methylphenoxy)-5-methylphenyl] 2,4-dihydroxy-6-methylbenzoate |
| Manual Xrefs | Databases |
|---|---|
| 78435023 | ChemSpider |