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CHEBI:86871 - lignin cw compound-3060

ChEBI IDCHEBI:86871
ChEBI Namelignin cw compound-3060
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FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILESCOc1cc(/C=C(C=O)/C(C=O)=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=1S/C22H22O8/c1-27-17-7-13(8-18(28-2)21(17)25)5-15(11-23)16(12-24)6-14-9-19(29-3)22(26)20(10-14)30-4/h5-12,25-26H,1-4H3/b15-5+,16-6+
InChIKeyXROCIMVSAJQUIX-IAGONARPSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3060 (CHEBI:86871) is a phenylpropanoid (CHEBI:26004)