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CHEBI:86794 - lignin cw compound-263

ChEBI IDCHEBI:86794
ChEBI Namelignin cw compound-263
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FormulaC38H42O14
Net Charge0
Average Mass722.740
Monoisotopic Mass722.25746
SMILESCOc1cc(C(OC(C)=O)C(COC(C)=O)Oc2ccc(C3OCC4C(c5ccc(OC(C)=O)c(OC)c5)OCC34)cc2OC)ccc1OC(C)=O
InChIInChI=1S/C38H42O14/c1-20(39)46-19-35(38(51-23(4)42)26-10-12-30(50-22(3)41)33(16-26)44-6)52-31-13-9-25(15-34(31)45-7)37-28-18-47-36(27(28)17-48-37)24-8-11-29(49-21(2)40)32(14-24)43-5/h8-16,27-28,35-38H,17-19H2,1-7H3
InChIKeyLZKIKNAWKMETAB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-263 (CHEBI:86794) is a lignan (CHEBI:25036)