EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H20O9 |
| Net Charge | 0 |
| Average Mass | 416.382 |
| Monoisotopic Mass | 416.11073 |
| SMILES | COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(C=O)c(O)c(C=O)c2O)c(C)c1O |
| InChI | InChI=1S/C21H20O9/c1-8-9(2)19(11(4)16(24)14(8)20(27)29-5)30-21(28)15-10(3)12(6-22)17(25)13(7-23)18(15)26/h6-7,24-26H,1-5H3 |
| InChIKey | TZUKIKOHNDDFPS-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nephroma arcticum (ncbitaxon:48859) | - | PubMed (5144999) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Phenarctin (CHEBI:203672) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| methyl 4-(3,5-diormyl-2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate |
| Manual Xrefs | Databases |
|---|---|
| 522835 | ChemSpider |