EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H28O9 |
| Net Charge | 0 |
| Average Mass | 496.512 |
| Monoisotopic Mass | 496.17333 |
| SMILES | COc1cc(/C=C/C(=O)OCC(Oc2ccccc2OC)C(O)c2ccc(O)c(OC)c2)ccc1O |
| InChI | InChI=1S/C27H28O9/c1-32-21-6-4-5-7-22(21)36-25(27(31)18-10-12-20(29)24(15-18)34-3)16-35-26(30)13-9-17-8-11-19(28)23(14-17)33-2/h4-15,25,27-29,31H,16H2,1-3H3/b13-9+ |
| InChIKey | DDPZFJAMTTYQRH-UKTHLTGXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lignin cw compound-1017 (CHEBI:86672) is a phenylpropanoid (CHEBI:26004) |