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CHEBI:86836 - lignin cw compound-3022

ChEBI IDCHEBI:86836
ChEBI Namelignin cw compound-3022
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FormulaC31H32O10
Net Charge0
Average Mass564.587
Monoisotopic Mass564.19955
SMILESCOC(=O)/C=C/c1ccc(OC(c2ccc(O)c(OC)c2)C(CO)Oc2ccc(/C=C/C(=O)OC)cc2OC)cc1
InChIInChI=1S/C31H32O10/c1-36-26-18-22(10-13-24(26)33)31(40-23-11-5-20(6-12-23)8-15-29(34)38-3)28(19-32)41-25-14-7-21(17-27(25)37-2)9-16-30(35)39-4/h5-18,28,31-33H,19H2,1-4H3/b15-8+,16-9+
InChIKeyWLUVCMPXXWNTOV-BVXMOGEKSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3022 (CHEBI:86836) is a hydroxycinnamic acid (CHEBI:24689)