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CHEBI:86663 - lignin cw compound-1001

ChEBI IDCHEBI:86663
ChEBI Namelignin cw compound-1001
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FormulaC26H26O8
Net Charge0
Average Mass466.486
Monoisotopic Mass466.16277
SMILESCOc1cc(C(OC(=O)/C=C/c2ccc(O)cc2)C(CO)Oc2ccccc2OC)ccc1O
InChIInChI=1S/C26H26O8/c1-31-21-5-3-4-6-22(21)33-24(16-27)26(18-10-13-20(29)23(15-18)32-2)34-25(30)14-9-17-7-11-19(28)12-8-17/h3-15,24,26-29H,16H2,1-2H3/b14-9+
InChIKeyCHZQGDOVVMZQHL-NTEUORMPSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-1001 (CHEBI:86663) is a cinnamate ester (CHEBI:36087)