EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H20O5 |
| Net Charge | 0 |
| Average Mass | 292.331 |
| Monoisotopic Mass | 292.13107 |
| SMILES | COC1=CC(=O)OC(CCc2ccc(OC)c(OC)c2)C1 |
| InChI | InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3 |
| InChIKey | HEURTYMJWQPWNN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one (CHEBI:110179) is a 2-pyranones (CHEBI:75885) |
| 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one (CHEBI:110179) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21618 | LINCS |
| HMDB0030767 | HMDB |