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CHEBI:86664 - lignin cw compound-1003

ChEBI IDCHEBI:86664
ChEBI Namelignin cw compound-1003
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FormulaC27H28O9
Net Charge0
Average Mass496.512
Monoisotopic Mass496.17333
SMILESCOc1cc(/C=C/C(=O)OC(c2ccc(O)c(OC)c2)C(CO)Oc2ccccc2OC)ccc1O
InChIInChI=1S/C27H28O9/c1-32-21-6-4-5-7-22(21)35-25(16-28)27(18-10-12-20(30)24(15-18)34-3)36-26(31)13-9-17-8-11-19(29)23(14-17)33-2/h4-15,25,27-30H,16H2,1-3H3/b13-9+
InChIKeyGWJLAISZFAGGET-UKTHLTGXSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-1003 (CHEBI:86664) is a hydroxycinnamic acid (CHEBI:24689)