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CHEBI:86754 - lignin cw compound-2061

ChEBI IDCHEBI:86754
ChEBI Namelignin cw compound-2061
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FormulaC43H40O12
Net Charge0
Average Mass748.781
Monoisotopic Mass748.25198
SMILESCOc1ccc(C2Oc3c(ccc(/C=C/COC(=O)/C=C/c4ccc(OC(C)=O)cc4)c3OC)[C@H]2COC(=O)/C=C/c2ccc(OC(C)=O)cc2)cc1OC
InChIInChI=1S/C43H40O12/c1-27(44)53-33-16-8-29(9-17-33)12-22-39(46)51-24-6-7-31-14-20-35-36(26-52-40(47)23-13-30-10-18-34(19-11-30)54-28(2)45)41(55-43(35)42(31)50-5)32-15-21-37(48-3)38(25-32)49-4/h6-23,25,36,41H,24,26H2,1-5H3/b7-6+,22-12+,23-13+/t36-,41?/m1/s1
InChIKeyPYOHSBQTTWBDKL-MAYQDNAHSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2061 (CHEBI:86754) is a benzofurans (CHEBI:35259)