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CHEBI:86739 - lignin cw compound-2045

ChEBI IDCHEBI:86739
ChEBI Namelignin cw compound-2045
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FormulaC28H36O10
Net Charge0
Average Mass532.586
Monoisotopic Mass532.23085
SMILESCCOC(=O)C(Oc1ccc(/C=C/C2OCCO2)cc1OC)C(O)c1ccc(OC(C)OCC)c(OC)c1
InChIInChI=1S/C28H36O10/c1-6-33-18(3)37-21-12-10-20(17-24(21)32-5)26(29)27(28(30)34-7-2)38-22-11-8-19(16-23(22)31-4)9-13-25-35-14-15-36-25/h8-13,16-18,25-27,29H,6-7,14-15H2,1-5H3/b13-9+
InChIKeyKFFOOEUMEVOTDC-UKTHLTGXSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2045 (CHEBI:86739) is a phenylpropanoid (CHEBI:26004)