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CHEBI:86828 - lignin cw compound-3012

ChEBI IDCHEBI:86828
ChEBI Namelignin cw compound-3012
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FormulaC37H40O14
Net Charge0
Average Mass708.713
Monoisotopic Mass708.24181
SMILESCOc1cc(C(COC(C)=O)C(OC(C)=O)c2cc(OC)c3c(c2)C(COC(C)=O)C(c2ccc(OC(C)=O)c(OC)c2)O3)ccc1OC(C)=O
InChIInChI=1S/C37H40O14/c1-19(38)46-17-28(24-9-11-30(48-21(3)40)32(14-24)43-6)36(50-23(5)42)26-13-27-29(18-47-20(2)39)35(51-37(27)34(16-26)45-8)25-10-12-31(49-22(4)41)33(15-25)44-7/h9-16,28-29,35-36H,17-18H2,1-8H3
InChIKeyULNMNHIDYWHZFN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3012 (CHEBI:86828) is a benzofurans (CHEBI:35259)