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CHEBI:86764 - lignin cw compound-2074

ChEBI IDCHEBI:86764
ChEBI Namelignin cw compound-2074
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FormulaC34H36O13
Net Charge0
Average Mass652.649
Monoisotopic Mass652.21559
SMILESCOc1cc([C@H](OC(C)=O)[C@@H](COC(=O)/C=C/c2ccc(OC(C)=O)cc2)Oc2c(OC)cccc2OC)cc(OC)c1OC(C)=O
InChIInChI=1S/C34H36O13/c1-20(35)44-25-14-11-23(12-15-25)13-16-31(38)43-19-30(47-33-26(39-4)9-8-10-27(33)40-5)32(45-21(2)36)24-17-28(41-6)34(46-22(3)37)29(18-24)42-7/h8-18,30,32H,19H2,1-7H3/b16-13+/t30-,32+/m1/s1
InChIKeyZDAMKXQCEYVLBQ-URGABMBKSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2074 (CHEBI:86764) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-2074 (CHEBI:86764) is a organooxygen compound (CHEBI:36963)