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CHEBI:86755 - lignin cw compound-2062

ChEBI IDCHEBI:86755
ChEBI Namelignin cw compound-2062
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FormulaC21H20O8
Net Charge0
Average Mass400.383
Monoisotopic Mass400.11582
SMILESCOC(=O)[C@H]1C(C(=O)O)=Cc2cc(OC)c(O)cc2[C@@H]1c1ccc(O)c(OC)c1
InChIInChI=1S/C21H20O8/c1-27-16-7-10(4-5-14(16)22)18-12-9-15(23)17(28-2)8-11(12)6-13(20(24)25)19(18)21(26)29-3/h4-9,18-19,22-23H,1-3H3,(H,24,25)/t18-,19-/m0/s1
InChIKeyPXFAERRRGPZALQ-OALUTQOASA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2062 (CHEBI:86755) is a lignan (CHEBI:25036)