EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H32O11 |
| Net Charge | 0 |
| Average Mass | 592.597 |
| Monoisotopic Mass | 592.19446 |
| SMILES | COc1cc(C(OC(C)=O)C(COC(C)=O)Oc2ccccc2OC)ccc1OC(=O)/C=C/c1ccc(OC(C)=O)cc1 |
| InChI | InChI=1S/C32H32O11/c1-20(33)39-19-30(42-27-9-7-6-8-26(27)37-4)32(41-22(3)35)24-13-16-28(29(18-24)38-5)43-31(36)17-12-23-10-14-25(15-11-23)40-21(2)34/h6-18,30,32H,19H2,1-5H3/b17-12+ |
| InChIKey | MEMCUBUKPDANFA-SFQUDFHCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lignin cw compound-1023 (CHEBI:86675) has functional parent tetracarboxylic acid (CHEBI:35742) |
| lignin cw compound-1023 (CHEBI:86675) is a organooxygen compound (CHEBI:36963) |