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CHEBI:86890 - lignin cw compound-85

ChEBI IDCHEBI:86890
ChEBI Namelignin cw compound-85
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FormulaC31H32O10
Net Charge0
Average Mass564.587
Monoisotopic Mass564.19955
SMILESCOC(=O)/C=C/c1ccc(OC(c2ccc(OC(C)=O)c(OC)c2)C(COC(C)=O)Oc2ccccc2OC)cc1
InChIInChI=1S/C31H32O10/c1-20(32)38-19-29(41-26-9-7-6-8-25(26)35-3)31(23-13-16-27(39-21(2)33)28(18-23)36-4)40-24-14-10-22(11-15-24)12-17-30(34)37-5/h6-18,29,31H,19H2,1-5H3/b17-12+
InChIKeyLYVTUZLQLNFYFO-SFQUDFHCSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-85 (CHEBI:86890) is a cinnamate ester (CHEBI:36087)