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CHEBI:86895 - lignin cw compound-98

ChEBI IDCHEBI:86895
ChEBI Namelignin cw compound-98
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FormulaC29H36O13
Net Charge0
Average Mass592.594
Monoisotopic Mass592.21559
SMILESCOc1cc(C(OC(C)=O)C(COC(C)=O)Oc2c(OC)cc(C(C)OC(C)=O)cc2OC)cc(OC)c1OC(C)=O
InChIInChI=1S/C29H36O13/c1-15(39-17(3)31)20-10-22(34-6)29(23(11-20)35-7)42-26(14-38-16(2)30)27(40-18(4)32)21-12-24(36-8)28(41-19(5)33)25(13-21)37-9/h10-13,15,26-27H,14H2,1-9H3
InChIKeyWYYCYZRTBPVGNV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-98 (CHEBI:86895) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-98 (CHEBI:86895) is a organooxygen compound (CHEBI:36963)