EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20O6 |
| Net Charge | 0 |
| Average Mass | 332.352 |
| Monoisotopic Mass | 332.12599 |
| SMILES | COc1ccc([C@H]2COc3c(ccc(O)c3OC)C2)c(OC)c1O |
| InChI | InChI=1S/C18H20O6/c1-21-14-7-5-12(17(22-2)15(14)20)11-8-10-4-6-13(19)18(23-3)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3/t11-/m1/s1 |
| InChIKey | QVVPJFBYFYYVDM-LLVKDONJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-7-ol (CHEBI:107650) is a isoflavonoid (CHEBI:50753) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19024 | LINCS |