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CHEBI:86771 - lignin cw compound-2081

ChEBI IDCHEBI:86771
ChEBI Namelignin cw compound-2081
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FormulaC32H32O12
Net Charge0
Average Mass608.596
Monoisotopic Mass608.18938
SMILESCOc1cc(C(=O)C(COC(=O)/C=C/c2ccc(OC(C)=O)cc2)Oc2c(OC)cccc2OC)cc(OC)c1OC(C)=O
InChIInChI=1S/C32H32O12/c1-19(33)42-23-13-10-21(11-14-23)12-15-29(35)41-18-28(44-31-24(37-3)8-7-9-25(31)38-4)30(36)22-16-26(39-5)32(43-20(2)34)27(17-22)40-6/h7-17,28H,18H2,1-6H3/b15-12+
InChIKeyLHNPNPDHJWJRAH-NTCAYCPXSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2081 (CHEBI:86771) is a aromatic ketone (CHEBI:76224)