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CHEBI:86830 - lignin cw compound-3016

Default Structure
ChEBI IDCHEBI:86830
ChEBI Namelignin cw compound-3016
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FormulaC24H24O8
Net Charge0
Average Mass440.448
Monoisotopic Mass440.14712
SMILESCOc1cc(C2c3cc(OC(C)=O)c(OC)cc3CC3C(=O)OCC32)ccc1OC(C)=O
InChIInChI=1S/C24H24O8/c1-12(25)31-19-6-5-14(8-20(19)28-3)23-16-10-22(32-13(2)26)21(29-4)9-15(16)7-17-18(23)11-30-24(17)27/h5-6,8-10,17-18,23H,7,11H2,1-4H3
InChIKeyLFKHGQCTOISGLY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3016 (CHEBI:86830) is a lignan (CHEBI:25036)