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CHEBI:86735 - lignin cw compound-2040

ChEBI IDCHEBI:86735
ChEBI Namelignin cw compound-2040
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FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESCOc1cc(/C=C(\Oc2ccc(/C=C/C(=O)O)cc2OC)C(=O)O)ccc1O
InChIInChI=1S/C20H18O8/c1-26-16-10-13(3-6-14(16)21)11-18(20(24)25)28-15-7-4-12(5-8-19(22)23)9-17(15)27-2/h3-11,21H,1-2H3,(H,22,23)(H,24,25)/b8-5+,18-11-
InChIKeyGGCXWTMEZZGUFT-ZMCAKAGVSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2040 (CHEBI:86735) has functional parent pyruvic acid (CHEBI:32816)
lignin cw compound-2040 (CHEBI:86735) is a 2-oxo monocarboxylic acid (CHEBI:35910)