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CHEBI:86737 - lignin cw compound-2042

ChEBI IDCHEBI:86737
ChEBI Namelignin cw compound-2042
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FormulaC22H22O7
Net Charge0
Average Mass398.411
Monoisotopic Mass398.13655
SMILESCCOC(=O)/C(=C/c1ccc(O)c(OC)c1)Oc1ccc(/C=C/C=O)cc1OC
InChIInChI=1S/C22H22O7/c1-4-28-22(25)21(14-16-7-9-17(24)19(13-16)26-2)29-18-10-8-15(6-5-11-23)12-20(18)27-3/h5-14,24H,4H2,1-3H3/b6-5+,21-14-
InChIKeyPVJFOFGKYANIDD-SENCSOQXSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2042 (CHEBI:86737) has functional parent pyruvic acid (CHEBI:32816)
lignin cw compound-2042 (CHEBI:86737) is a 2-oxo monocarboxylic acid (CHEBI:35910)