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CHEBI:86725 - lignin cw compound-2031

ChEBI IDCHEBI:86725
ChEBI Namelignin cw compound-2031
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FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESCOc1cc(/C=C(C(=O)O)/C(=C/c2ccc(O)c(OC)c2)C(=O)O)ccc1O
InChIInChI=1S/C20H18O8/c1-27-17-9-11(3-5-15(17)21)7-13(19(23)24)14(20(25)26)8-12-4-6-16(22)18(10-12)28-2/h3-10,21-22H,1-2H3,(H,23,24)(H,25,26)/b13-7-,14-8-
InChIKeySPKZMOSDXTYXLK-PVRNWPCDSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2031 (CHEBI:86725) is a phenylpropanoid (CHEBI:26004)