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CHEBI:202228 - Conphysodalic acid
| Formula | C20H18O10 |
| Net Charge | 0 |
| Average Mass | 418.354 |
| Monoisotopic Mass | 418.09000 |
| SMILES | CC(=O)OCc1c(O)c(C(=O)O)c(C)c2c1OC(=O)c1c(C)cc(O)c(CO)c1O2 |
| InChI | InChI=1S/C20H18O10/c1-7-4-12(23)10(5-21)17-13(7)20(27)30-18-11(6-28-9(3)22)15(24)14(19(25)26)8(2)16(18)29-17/h4,21,23-24H,5-6H2,1-3H3,(H,25,26) |
| InChIKey | ADGOFPAXWRMONQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hypogymnia (ncbitaxon:87258) | - | PubMed (26342621) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Conphysodalic acid (CHEBI:202228) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 4-(acetyloxymethyl)-3,9-dihydroxy-10-(hydroxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78435843 | ChemSpider |