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CHEBI:86821 - lignin cw compound-3

ChEBI IDCHEBI:86821
ChEBI Namelignin cw compound-3
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FormulaC22H26O8
Net Charge0
Average Mass418.442
Monoisotopic Mass418.16277
SMILESCOc1ccc(C(OC(C)=O)C(COC(C)=O)Oc2ccccc2OC)cc1OC
InChIInChI=1S/C22H26O8/c1-14(23)28-13-21(30-19-9-7-6-8-17(19)25-3)22(29-15(2)24)16-10-11-18(26-4)20(12-16)27-5/h6-12,21-22H,13H2,1-5H3
InChIKeyRMKJJYVWTBUKLR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3 (CHEBI:86821) has functional parent benzyl alcohol (CHEBI:17987)
lignin cw compound-3 (CHEBI:86821) is a carboxylic ester (CHEBI:33308)