EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H16O9 |
| Net Charge | 0 |
| Average Mass | 376.317 |
| Monoisotopic Mass | 376.07943 |
| SMILES | COc1c(O)cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O |
| InChI | InChI=1S/C18H16O9/c1-24-16-8(19)4-7(5-9(16)20)15-18(26-3)14(23)12-11(27-15)6-10(21)17(25-2)13(12)22/h4-6,19-22H,1-3H3 |
| InChIKey | FPFLMCPZDZURSF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone (CHEBI:180424) is a ether (CHEBI:25698) |
| 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone (CHEBI:180424) is a flavonoids (CHEBI:72544) |
| IUPAC Name |
|---|
| 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one |
| Manual Xrefs | Databases |
|---|---|
| LMPK12113041 | LIPID MAPS |
| 24845603 | ChemSpider |