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CHEBI:86793 - lignin cw compound-262

ChEBI IDCHEBI:86793
ChEBI Namelignin cw compound-262
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FormulaC31H36O13
Net Charge0
Average Mass616.616
Monoisotopic Mass616.21559
SMILESCOc1cc(C2Oc3c(OC)cc(CC(OC(C)=O)C(COC(C)=O)OC(C)=O)cc3C2COC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C31H36O13/c1-16(32)39-14-24-23-10-21(11-27(42-19(4)35)29(43-20(5)36)15-40-17(2)33)12-28(38-7)31(23)44-30(24)22-8-9-25(41-18(3)34)26(13-22)37-6/h8-10,12-13,24,27,29-30H,11,14-15H2,1-7H3
InChIKeyRTUYLVLNFABNBH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-262 (CHEBI:86793) is a benzofurans (CHEBI:35259)