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CHEBI:86713 - lignin cw compound-2017

ChEBI IDCHEBI:86713
ChEBI Namelignin cw compound-2017
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FormulaC40H44O12
Net Charge0
Average Mass716.780
Monoisotopic Mass716.28328
SMILESCOc1ccc([C@@H](Oc2ccc([C@H]3Oc4c(OC)cc(/C=C/O)cc4[C@@H]3CO)cc2OC)[C@H](CO)Oc2ccc(/C=C/CO)cc2OC)cc1OC
InChIInChI=1S/C40H44O12/c1-45-30-12-9-27(21-34(30)47-3)39(37(23-44)50-31-11-8-24(7-6-15-41)18-33(31)46-2)51-32-13-10-26(20-35(32)48-4)38-29(22-43)28-17-25(14-16-42)19-36(49-5)40(28)52-38/h6-14,16-21,29,37-39,41-44H,15,22-23H2,1-5H3/b7-6+,16-14+/t29-,37-,38+,39+/m0/s1
InChIKeyJFKXOTIDPYJTIM-TYRGZMJASA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2017 (CHEBI:86713) is a benzofurans (CHEBI:35259)