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CHEBI:86744 - lignin cw compound-2050

ChEBI IDCHEBI:86744
ChEBI Namelignin cw compound-2050
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FormulaC24H28O8
Net Charge0
Average Mass444.480
Monoisotopic Mass444.17842
SMILESCCOC(=O)CC1c2cc(OC)c(O)cc2[C@@H](c2ccc(O)c(OC)c2)C1C(=O)OCC
InChIInChI=1S/C24H28O8/c1-5-31-21(27)12-16-14-11-20(30-4)18(26)10-15(14)22(23(16)24(28)32-6-2)13-7-8-17(25)19(9-13)29-3/h7-11,16,22-23,25-26H,5-6,12H2,1-4H3/t16?,22-,23?/m1/s1
InChIKeyLBLMHKVQEJAUHQ-AVBDTAHFSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2050 (CHEBI:86744) is a methoxybenzenes (CHEBI:51683)
lignin cw compound-2050 (CHEBI:86744) is a phenols (CHEBI:33853)