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CHEBI:86729 - lignin cw compound-2035

ChEBI IDCHEBI:86729
ChEBI Namelignin cw compound-2035
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FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILESCOC(=O)C1=Cc2cc(OC)c(O)cc2[C@H](c2ccc(O)c(OC)c2)[C@H]1C(=O)OC
InChIInChI=1S/C22H22O8/c1-27-17-8-11(5-6-15(17)23)19-13-10-16(24)18(28-2)9-12(13)7-14(21(25)29-3)20(19)22(26)30-4/h5-10,19-20,23-24H,1-4H3/t19-,20-/m0/s1
InChIKeyISHDPVONGBEOKE-PMACEKPBSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2035 (CHEBI:86729) is a lignan (CHEBI:25036)