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CHEBI:86834 - lignin cw compound-3020

ChEBI IDCHEBI:86834
ChEBI Namelignin cw compound-3020
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FormulaC31H32O9
Net Charge0
Average Mass548.588
Monoisotopic Mass548.20463
SMILESCOC(=O)/C=C/c1ccc(OC(CO)C(Oc2ccc(/C=C/C(=O)OC)cc2)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C31H32O9/c1-35-26-16-11-23(19-27(26)36-2)31(40-25-14-7-22(8-15-25)10-18-30(34)38-4)28(20-32)39-24-12-5-21(6-13-24)9-17-29(33)37-3/h5-19,28,31-32H,20H2,1-4H3/b17-9+,18-10+
InChIKeyGMCBMQHPTLDCJX-BEQMOXJMSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3020 (CHEBI:86834) is a cinnamate ester (CHEBI:36087)