EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22O8 |
| Net Charge | 0 |
| Average Mass | 402.399 |
| Monoisotopic Mass | 402.13147 |
| SMILES | COc1cc(-c2coc3cc(OC)c(OC)c(OC)c3c2=O)cc(OC)c1OC |
| InChI | InChI=1S/C21H22O8/c1-23-14-7-11(8-15(24-2)19(14)26-4)12-10-29-13-9-16(25-3)20(27-5)21(28-6)17(13)18(12)22/h7-10H,1-6H3 |
| InChIKey | NCEXCGUAXVAJMI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5,6,7-trimethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one (CHEBI:113560) is a 4'-methoxyisoflavones (CHEBI:133959) |
| 5,6,7-trimethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one (CHEBI:113560) is a 7-methoxyisoflavones (CHEBI:140356) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24989 | LINCS |