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CHEBI:86666 - lignin cw compound-1007

ChEBI IDCHEBI:86666
ChEBI Namelignin cw compound-1007
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FormulaC33H34O12
Net Charge0
Average Mass622.623
Monoisotopic Mass622.20503
SMILESCOc1cc(/C=C/C(=O)OC(c2ccc(OC(C)=O)c(OC)c2)C(COC(C)=O)Oc2ccccc2OC)ccc1OC(C)=O
InChIInChI=1S/C33H34O12/c1-20(34)41-19-31(44-26-10-8-7-9-25(26)38-4)33(24-13-15-28(43-22(3)36)30(18-24)40-6)45-32(37)16-12-23-11-14-27(42-21(2)35)29(17-23)39-5/h7-18,31,33H,19H2,1-6H3/b16-12+
InChIKeyIQKRBXHYRLCDBB-FOWTUZBSSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-1007 (CHEBI:86666) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-1007 (CHEBI:86666) is a organooxygen compound (CHEBI:36963)