EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H30O7 |
| Net Charge | 0 |
| Average Mass | 406.475 |
| Monoisotopic Mass | 406.19915 |
| SMILES | CCCc1cc(OC)c(OC(CO)Cc2cc(OC)c(O)c(OC)c2)c(OC)c1 |
| InChI | InChI=1S/C22H30O7/c1-6-7-14-9-19(27-4)22(20(10-14)28-5)29-16(13-23)8-15-11-17(25-2)21(24)18(12-15)26-3/h9-12,16,23-24H,6-8,13H2,1-5H3 |
| InChIKey | ZWTBMCNTCFWFEL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lignin cw compound-3028 (CHEBI:86842) is a phenylpropanoid (CHEBI:26004) |