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CHEBI:86826 - lignin cw compound-3009

ChEBI IDCHEBI:86826
ChEBI Namelignin cw compound-3009
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FormulaC46H50O18
Net Charge0
Average Mass890.888
Monoisotopic Mass890.29971
SMILESCOc1ccccc1OC(COC(C)=O)C(OC(C)=O)c1cc(OC)c(OC(C)=O)c(-c2cc(C(OC(C)=O)C(COC(C)=O)Oc3ccccc3OC)cc(OC)c2OC(C)=O)c1
InChIInChI=1S/C46H50O18/c1-25(47)57-23-41(63-37-17-13-11-15-35(37)53-7)43(59-27(3)49)31-19-33(45(61-29(5)51)39(21-31)55-9)34-20-32(22-40(56-10)46(34)62-30(6)52)44(60-28(4)50)42(24-58-26(2)48)64-38-18-14-12-16-36(38)54-8/h11-22,41-44H,23-24H2,1-10H3
InChIKeyJFJKQGLJJCCMQZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3009 (CHEBI:86826) has functional parent pentacarboxylic acid (CHEBI:35743)
lignin cw compound-3009 (CHEBI:86826) is a organooxygen compound (CHEBI:36963)