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CHEBI:86876 - lignin cw compound-3070

ChEBI IDCHEBI:86876
ChEBI Namelignin cw compound-3070
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FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILESCCOC(=O)/C=C/c1cc(OC)c2c(c1)OC(c1ccc(O)c(OC)c1)C(CO)O2
InChIInChI=1S/C22H24O8/c1-4-28-20(25)8-5-13-9-17(27-3)22-18(10-13)29-21(19(12-23)30-22)14-6-7-15(24)16(11-14)26-2/h5-11,19,21,23-24H,4,12H2,1-3H3/b8-5+
InChIKeyHLMKHZHLATZBPY-VMPITWQZSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3070 (CHEBI:86876) is a benzodioxine (CHEBI:64096)