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(=O)/C=C/c2ccc(OC(C)=O)cc2)Oc2ccccc2OC)ccc1OC(C)=O |
| InChI | InChI=1S/C32H32O11/c1-20(33)40-25-14-10-23(11-15-25)12-17-31(36)39-19-30(43-27-9-7-6-8-26(27)37-4)32(42-22(3)35)24-13-16-28(41-21(2)34)29(18-24)38-5/h6-18,30,32H,19H2,1-5H3/b17-12+ |
| InChIKey | IBPHYOJCSJXJLO-SFQUDFHCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lignin cw compound-1019 (CHEBI:86673) has functional parent tetracarboxylic acid (CHEBI:35742) |
| lignin cw compound-1019 (CHEBI:86673) is a organooxygen compound (CHEBI:36963) |