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CHEBI:86894 - lignin cw compound-97

ChEBI IDCHEBI:86894
ChEBI Namelignin cw compound-97
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FormulaC28H34O12
Net Charge0
Average Mass562.568
Monoisotopic Mass562.20503
SMILESCOc1cc(C(C)OC(C)=O)ccc1OC(COC(C)=O)C(OC(C)=O)c1cc(OC)c(OC(C)=O)c(OC)c1
InChIInChI=1S/C28H34O12/c1-15(37-17(3)30)20-9-10-22(23(11-20)33-6)40-26(14-36-16(2)29)27(38-18(4)31)21-12-24(34-7)28(39-19(5)32)25(13-21)35-8/h9-13,15,26-27H,14H2,1-8H3
InChIKeyQGYHKSBYXCCDFG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-97 (CHEBI:86894) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-97 (CHEBI:86894) is a organooxygen compound (CHEBI:36963)