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CHEBI:86720 - lignin cw compound-2024

ChEBI IDCHEBI:86720
ChEBI Namelignin cw compound-2024
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FormulaC48H52O16
Net Charge0
Average Mass884.928
Monoisotopic Mass884.32554
SMILESCOc1ccc([C@@H](Oc2ccc([C@H]3Oc4c(OC)cc(/C=C/OC(C)=O)cc4[C@@H]3COC(C)=O)cc2OC)[C@@H](COC(C)=O)Oc2ccc(/C=C/COC(C)=O)cc2OC)cc1OC
InChIInChI=1S/C48H52O16/c1-28(49)58-19-10-11-32-12-15-39(41(22-32)54-6)62-45(27-61-31(4)52)47(35-13-16-38(53-5)42(25-35)55-7)63-40-17-14-34(24-43(40)56-8)46-37(26-60-30(3)51)36-21-33(18-20-59-29(2)50)23-44(57-9)48(36)64-46/h10-18,20-25,37,45-47H,19,26-27H2,1-9H3/b11-10+,20-18+/t37-,45+,46+,47+/m0/s1
InChIKeyPUYMNTGCGLLFNE-KDRWVWMHSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2024 (CHEBI:86720) is a lignan (CHEBI:25036)