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CHEBI:86776 - lignin cw compound-213

ChEBI IDCHEBI:86776
ChEBI Namelignin cw compound-213
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FormulaC27H32O12
Net Charge0
Average Mass548.541
Monoisotopic Mass548.18938
SMILESCOc1cc(COC(C)=O)ccc1OC(COC(C)=O)C(OC(C)=O)c1cc(OC)c(OC(C)=O)c(OC)c1
InChIInChI=1S/C27H32O12/c1-15(28)35-13-19-8-9-21(22(10-19)32-5)39-25(14-36-16(2)29)26(37-17(3)30)20-11-23(33-6)27(38-18(4)31)24(12-20)34-7/h8-12,25-26H,13-14H2,1-7H3
InChIKeyRQXBRGOHYAIWAB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-213 (CHEBI:86776) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-213 (CHEBI:86776) is a organooxygen compound (CHEBI:36963)