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CHEBI:86701 - lignin cw compound-193

ChEBI IDCHEBI:86701
ChEBI Namelignin cw compound-193
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FormulaC45H54O20
Net Charge0
Average Mass914.907
Monoisotopic Mass914.32084
SMILESCOc1cc(C(OC(C)=O)C(COC(C)=O)Oc2c(OC)cc(C(OC(C)=O)C(COC(C)=O)Oc3c(OC)cc(/C=C/COC(C)=O)cc3OC)cc2OC)cc(OC)c1OC(C)=O
InChIInChI=1S/C45H54O20/c1-24(46)58-15-13-14-30-16-33(52-7)44(34(17-30)53-8)64-39(22-59-25(2)47)42(62-28(5)50)32-20-37(56-11)45(38(21-32)57-12)65-40(23-60-26(3)48)41(61-27(4)49)31-18-35(54-9)43(63-29(6)51)36(19-31)55-10/h13-14,16-21,39-42H,15,22-23H2,1-12H3/b14-13+
InChIKeyGRQNDORNUHQEBV-BUHFOSPRSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-193 (CHEBI:86701) has functional parent pentacarboxylic acid (CHEBI:35743)
lignin cw compound-193 (CHEBI:86701) is a organooxygen compound (CHEBI:36963)