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CHEBI:86869 - lignin cw compound-3058

ChEBI IDCHEBI:86869
ChEBI Namelignin cw compound-3058
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FormulaC30H26O9
Net Charge0
Average Mass530.529
Monoisotopic Mass530.15768
SMILESCOc1cc(/C=C(/C=O)Oc2ccc(/C=C(/C=O)Oc3ccc(/C=C/C=O)cc3OC)cc2OC)ccc1O
InChIInChI=1S/C30H26O9/c1-35-28-16-21(6-9-25(28)34)13-23(18-32)39-27-11-8-22(17-30(27)37-3)14-24(19-33)38-26-10-7-20(5-4-12-31)15-29(26)36-2/h4-19,34H,1-3H3/b5-4+,23-13-,24-14-
InChIKeyZRKQVDJEYKEFPO-ZDLXMBJZSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3058 (CHEBI:86869) is a methoxybenzenes (CHEBI:51683)
lignin cw compound-3058 (CHEBI:86869) is a phenols (CHEBI:33853)