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CHEBI:86888 - lignin cw compound-80

ChEBI IDCHEBI:86888
ChEBI Namelignin cw compound-80
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FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCOc1cc(C(=O)C(CO)Oc2ccc(C(C)=O)cc2)cc(OC)c1OC(C)=O
InChIInChI=1S/C21H22O8/c1-12(23)14-5-7-16(8-6-14)29-19(11-22)20(25)15-9-17(26-3)21(28-13(2)24)18(10-15)27-4/h5-10,19,22H,11H2,1-4H3
InChIKeyNPPWHGHDALTEFC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-80 (CHEBI:86888) is a aromatic ketone (CHEBI:76224)