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CHEBI:86728 - lignin cw compound-2034

ChEBI IDCHEBI:86728
ChEBI Namelignin cw compound-2034
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FormulaC21H20O8
Net Charge0
Average Mass400.383
Monoisotopic Mass400.11582
SMILESCOC(=O)[C@@H]1/C(=C/c2ccc(O)c(OC)c2)C(=O)O[C@H]1c1ccc(O)c(OC)c1
InChIInChI=1S/C21H20O8/c1-26-16-9-11(4-6-14(16)22)8-13-18(21(25)28-3)19(29-20(13)24)12-5-7-15(23)17(10-12)27-2/h4-10,18-19,22-23H,1-3H3/b13-8-/t18-,19+/m1/s1
InChIKeyIHYNHZYPQNPNNV-BPMSSMTMSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2034 (CHEBI:86728) is a methoxybenzenes (CHEBI:51683)
lignin cw compound-2034 (CHEBI:86728) is a phenols (CHEBI:33853)