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CHEBI:86711 - lignin cw compound-2015

ChEBI IDCHEBI:86711
ChEBI Namelignin cw compound-2015
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FormulaC30H34O9
Net Charge0
Average Mass538.593
Monoisotopic Mass538.22028
SMILESCOc1cc([C@@H](Oc2ccc(/C=C/CO)cc2OC)[C@H](CO)Oc2ccc(/C=C/CO)cc2OC)ccc1O
InChIInChI=1S/C30H34O9/c1-35-26-18-22(10-11-23(26)34)30(39-25-13-9-21(7-5-15-32)17-28(25)37-3)29(19-33)38-24-12-8-20(6-4-14-31)16-27(24)36-2/h4-13,16-18,29-34H,14-15,19H2,1-3H3/b6-4+,7-5+/t29-,30+/m0/s1
InChIKeyRGTXPDPNPBRARZ-GOUKENADSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2015 (CHEBI:86711) is a methoxybenzenes (CHEBI:51683)
lignin cw compound-2015 (CHEBI:86711) is a phenols (CHEBI:33853)