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CHEBI:86712 - lignin cw compound-2016

ChEBI IDCHEBI:86712
ChEBI Namelignin cw compound-2016
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DownloadsMolfile
FormulaC38H42O13
Net Charge0
Average Mass706.741
Monoisotopic Mass706.26254
SMILESCCOC(=O)/C=C/c1ccc(O[C@H](c2ccc(OC(C)=O)c(OC)c2)[C@H](COC(C)=O)Oc2ccc(/C=C/COC(C)=O)cc2OC)c(OC)c1
InChIInChI=1S/C38H42O13/c1-8-46-37(42)18-13-28-12-16-32(34(21-28)44-6)51-38(29-14-17-30(49-26(4)41)35(22-29)45-7)36(23-48-25(3)40)50-31-15-11-27(20-33(31)43-5)10-9-19-47-24(2)39/h9-18,20-22,36,38H,8,19,23H2,1-7H3/b10-9+,18-13+/t36-,38+/m0/s1
InChIKeyMGCYUTUVGXAJRQ-DVYZYVGUSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2016 (CHEBI:86712) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-2016 (CHEBI:86712) is a organooxygen compound (CHEBI:36963)