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CHEBI:86753 - lignin cw compound-2060

ChEBI IDCHEBI:86753
ChEBI Namelignin cw compound-2060
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FormulaC39H36O10
Net Charge0
Average Mass664.707
Monoisotopic Mass664.23085
SMILESCOc1ccc(C2Oc3c(ccc(/C=C/COC(=O)/C=C/c4ccc(O)cc4)c3OC)[C@H]2COC(=O)/C=C/c2ccc(O)cc2)cc1OC
InChIInChI=1S/C39H36O10/c1-44-33-19-13-28(23-34(33)45-2)37-32(24-48-36(43)21-11-26-8-16-30(41)17-9-26)31-18-12-27(38(46-3)39(31)49-37)5-4-22-47-35(42)20-10-25-6-14-29(40)15-7-25/h4-21,23,32,37,40-41H,22,24H2,1-3H3/b5-4+,20-10+,21-11+/t32-,37?/m1/s1
InChIKeyDOCHIFQQUJFTIC-IOCFVIRCSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2060 (CHEBI:86753) is a benzofurans (CHEBI:35259)