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CHEBI:86887 - lignin cw compound-79

ChEBI IDCHEBI:86887
ChEBI Namelignin cw compound-79
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FormulaC23H26O10
Net Charge0
Average Mass462.451
Monoisotopic Mass462.15260
SMILESCOc1cc(C(=O)C(CO)Oc2c(OC)cc(C(C)=O)cc2OC)cc(OC)c1OC(C)=O
InChIInChI=1S/C23H26O10/c1-12(25)14-7-16(28-3)23(17(8-14)29-4)33-20(11-24)21(27)15-9-18(30-5)22(32-13(2)26)19(10-15)31-6/h7-10,20,24H,11H2,1-6H3
InChIKeyQFQNQQYSDDAVBM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-79 (CHEBI:86887) is a aromatic ketone (CHEBI:76224)