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CHEBI:86752 - lignin cw compound-2059

ChEBI IDCHEBI:86752
ChEBI Namelignin cw compound-2059
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FormulaC50H56O16
Net Charge0
Average Mass912.982
Monoisotopic Mass912.35684
SMILESCOc1cc([C@@H](Oc2ccc([C@@H]3OC[C@@]4(C)[C@H](c5ccc(OC(C)=O)c(OC)c5)OC[C@@]34C)cc2OC)[C@H](COC(C)=O)Oc2ccc(/C=C/COC(C)=O)cc2OC)ccc1OC(C)=O
InChIInChI=1S/C50H56O16/c1-29(51)59-21-11-12-33-13-17-39(41(22-33)55-7)65-45(26-60-30(2)52)46(34-14-18-37(63-31(3)53)42(23-34)56-8)66-40-20-16-36(25-44(40)58-10)48-50(6)28-61-47(49(50,5)27-62-48)35-15-19-38(64-32(4)54)43(24-35)57-9/h11-20,22-25,45-48H,21,26-28H2,1-10H3/b12-11+/t45-,46+,47-,48-,49-,50-/m0/s1
InChIKeyHSJQICBMRHVBPD-QGNFGPBLSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2059 (CHEBI:86752) is a lignan (CHEBI:25036)