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CHEBI:86820 - lignin cw compound-299

ChEBI IDCHEBI:86820
ChEBI Namelignin cw compound-299
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FormulaC38H46O13
Net Charge0
Average Mass710.773
Monoisotopic Mass710.29384
SMILESCCCc1ccc(Oc2cc(C(CC)OC(C)=O)cc(OC)c2OC(COC(C)=O)C(OC(C)=O)c2ccc(OC(C)=O)c(OC)c2)c(OC)c1
InChIInChI=1S/C38H46O13/c1-10-12-26-13-15-31(32(17-26)43-7)50-35-20-28(29(11-2)47-23(4)40)19-34(45-9)38(35)51-36(21-46-22(3)39)37(49-25(6)42)27-14-16-30(48-24(5)41)33(18-27)44-8/h13-20,29,36-37H,10-12,21H2,1-9H3
InChIKeyQZXLETCZQVMTRX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-299 (CHEBI:86820) is a phenylpropanoid (CHEBI:26004)