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CHEBI:86811 - lignin cw compound-289

ChEBI IDCHEBI:86811
ChEBI Namelignin cw compound-289
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FormulaC40H48O14
Net Charge0
Average Mass752.810
Monoisotopic Mass752.30441
SMILESCCC(OC(C)=O)c1cc(OC)c(OC(C)=O)c(Oc2c(OC)cc(C(CC)OC(C)=O)cc2-c2cc(C(CC)OC(C)=O)cc(OC)c2OC(C)=O)c1
InChIInChI=1S/C40H48O14/c1-12-31(49-21(4)41)26-15-29(38(52-24(7)44)34(17-26)46-9)30-16-27(32(13-2)50-22(5)42)18-35(47-10)39(30)54-37-20-28(33(14-3)51-23(6)43)19-36(48-11)40(37)53-25(8)45/h15-20,31-33H,12-14H2,1-11H3
InChIKeyWCRSQUSQZSFBPD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-289 (CHEBI:86811) is a phenylpropanoid (CHEBI:26004)