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CHEBI:86706 - lignin cw compound-2005

ChEBI IDCHEBI:86706
ChEBI Namelignin cw compound-2005
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FormulaC26H28O9
Net Charge0
Average Mass484.501
Monoisotopic Mass484.17333
SMILESCOc1cc(C2Oc3c(OC)cc(/C=C/COC(C)=O)cc3C2COC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C26H28O9/c1-15(27)32-10-6-7-18-11-20-21(14-33-16(2)28)25(35-26(20)24(12-18)31-5)19-8-9-22(34-17(3)29)23(13-19)30-4/h6-9,11-13,21,25H,10,14H2,1-5H3/b7-6+
InChIKeyGREYSPLHEFRZST-VOTSOKGWSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2005 (CHEBI:86706) is a benzofurans (CHEBI:35259)