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CHEBI:86855 - lignin cw compound-3041

ChEBI IDCHEBI:86855
ChEBI Namelignin cw compound-3041
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FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCOc1cc(/C=C(/C=O)Oc2c(OC)cccc2OC)cc(OC)c1OC(C)=O
InChIInChI=1S/C21H22O8/c1-13(23)28-21-18(26-4)10-14(11-19(21)27-5)9-15(12-22)29-20-16(24-2)7-6-8-17(20)25-3/h6-12H,1-5H3/b15-9-
InChIKeyGUJCAPYTQRVTOE-DHDCSXOGSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3041 (CHEBI:86855) is a benzoate ester (CHEBI:36054)
lignin cw compound-3041 (CHEBI:86855) is a phenols (CHEBI:33853)