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CHEBI:218680 - Cryptothamnolic acid
| Formula | C19H18O9 |
| Net Charge | 0 |
| Average Mass | 390.344 |
| Monoisotopic Mass | 390.09508 |
| SMILES | COc1cc(C)c(C(=O)Oc2c(C)c(C(=O)O)c(O)c(C)c2O)c(O)c1C=O |
| InChI | InChI=1S/C19H18O9/c1-7-5-11(27-4)10(6-20)16(23)12(7)19(26)28-17-8(2)13(18(24)25)14(21)9(3)15(17)22/h5-6,21-23H,1-4H3,(H,24,25) |
| InChIKey | HEDMFNAWESICHB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pertusariaspecies (ncbitaxon:2884591) | - | DOI (10.1071/ch99085) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cryptothamnolic acid (CHEBI:218680) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 5-(3-ormyl-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2,4-dihydroxy-3,6-dimethylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 9318732 | ChemSpider |