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CHEBI:86745 - lignin cw compound-2051

ChEBI IDCHEBI:86745
ChEBI Namelignin cw compound-2051
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FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESCOc1ccc(C2Oc3c(OC)cc(/C=C/CO)cc3C2CO)cc1OC
InChIInChI=1S/C21H24O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h4-7,9-11,16,20,22-23H,8,12H2,1-3H3/b5-4+
InChIKeyIATWXYMZKVGQLC-SNAWJCMRSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2051 (CHEBI:86745) is a benzofurans (CHEBI:35259)