EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H14O4 |
| Net Charge | 0 |
| Average Mass | 222.240 |
| Monoisotopic Mass | 222.08921 |
| SMILES | COc1cc(C=CC=O)cc(OC)c1OC |
| InChI | InChI=1S/C12H14O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-8H,1-3H3 |
| InChIKey | XDSHNNRBLSBDAP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(3,4,5-trimethoxyphenyl)-2-propenal (CHEBI:113534) is a cinnamaldehydes (CHEBI:23245) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24949 | LINCS |