EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22O6 |
| Net Charge | 0 |
| Average Mass | 382.412 |
| Monoisotopic Mass | 382.14164 |
| SMILES | COc1cc2c(cc1O)OC1c3c(cc4c(c3OC)C=CC(C)(C)O4)OCC21 |
| InChI | InChI=1S/C22H22O6/c1-22(2)6-5-11-16(28-22)9-18-19(20(11)25-4)21-13(10-26-18)12-7-17(24-3)14(23)8-15(12)27-21/h5-9,13,21,23H,10H2,1-4H3 |
| InChIKey | CEAWIMABVSITMV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| desmodin (CHEBI:140150) is a pterocarpans (CHEBI:26377) |
| Manual Xrefs | Databases |
|---|---|
| LMPK12070104 | LIPID MAPS |