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CHEBI:86746 - lignin cw compound-2052

ChEBI IDCHEBI:86746
ChEBI Namelignin cw compound-2052
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FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILESCCOC(=O)/C=C/c1cc(OC)c2c(c1)C(C(=O)O)C(c1ccc(O)c(OC)c1)O2
InChIInChI=1S/C22H22O8/c1-4-29-18(24)8-5-12-9-14-19(22(25)26)20(30-21(14)17(10-12)28-3)13-6-7-15(23)16(11-13)27-2/h5-11,19-20,23H,4H2,1-3H3,(H,25,26)/b8-5+
InChIKeyTVSCTGGSWBBHSY-VMPITWQZSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2052 (CHEBI:86746) is a benzofurans (CHEBI:35259)