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CHEBI:86885 - lignin cw compound-53

ChEBI IDCHEBI:86885
ChEBI Namelignin cw compound-53
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FormulaC21H24O8
Net Charge0
Average Mass404.415
Monoisotopic Mass404.14712
SMILESCOc1cc(C(=O)COc2c(OC)cc(C(C)=O)cc2OC)cc(OC)c1OC
InChIInChI=1S/C21H24O8/c1-12(22)13-7-18(26-4)21(19(8-13)27-5)29-11-15(23)14-9-16(24-2)20(28-6)17(10-14)25-3/h7-10H,11H2,1-6H3
InChIKeyIXGZCYMUMDBCJT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-53 (CHEBI:86885) is a aromatic ketone (CHEBI:76224)