EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H13O7 |
| Net Charge | -1 |
| Average Mass | 329.284 |
| Monoisotopic Mass | 329.06668 |
| SMILES | COc1cc2c(c(OC)c1O)C(=O)c1c([O-])c(C)cc(O)c1C2=O |
| InChI | InChI=1S/C17H14O7/c1-6-4-8(18)11-12(13(6)19)16(22)10-7(14(11)20)5-9(23-2)15(21)17(10)24-3/h4-5,18-19,21H,1-3H3/p-1 |
| InChIKey | BHXGNEJDWATDFR-UHFFFAOYSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pinus radiata (ncbitaxon:3347) | leaf (BTO:0000713) | MetaboLights (MTBLS4567) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| robustaquinone A (CHEBI:192449) is a hydroxyanthraquinones (CHEBI:37485) |
| IUPAC Name |
|---|
| 4,7-dihydroxy-6,8-dimethoxy-2-methyl-9,10-dioxoanthracen-1-olate |