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CHEBI:86877 - lignin cw compound-3071

ChEBI IDCHEBI:86877
ChEBI Namelignin cw compound-3071
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FormulaC23H26O9
Net Charge0
Average Mass446.452
Monoisotopic Mass446.15768
SMILESCOc1cc(C(O)C(COC(C)=O)Oc2c(OC)cc(/C=C/C=O)cc2OC)ccc1O
InChIInChI=1S/C23H26O9/c1-14(25)31-13-21(22(27)16-7-8-17(26)18(12-16)28-2)32-23-19(29-3)10-15(6-5-9-24)11-20(23)30-4/h5-12,21-22,26-27H,13H2,1-4H3/b6-5+
InChIKeyRRHOGCUQOGFHFO-AATRIKPKSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3071 (CHEBI:86877) is a phenylpropanoid (CHEBI:26004)