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CHEBI:86721 - lignin cw compound-2025

ChEBI IDCHEBI:86721
ChEBI Namelignin cw compound-2025
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FormulaC42H48O12
Net Charge0
Average Mass744.834
Monoisotopic Mass744.31458
SMILESCOc1cc([C@@H](Oc2ccc([C@@H]3OC[C@@]4(C)[C@H](c5ccc(O)c(OC)c5)OC[C@@]34C)cc2OC)[C@H](CO)Oc2ccc(/C=C/CO)cc2OC)ccc1O
InChIInChI=1S/C42H48O12/c1-41-23-52-40(42(41,2)24-51-39(41)27-11-14-30(46)34(20-27)48-4)28-12-16-32(36(21-28)50-6)54-38(26-10-13-29(45)33(19-26)47-3)37(22-44)53-31-15-9-25(8-7-17-43)18-35(31)49-5/h7-16,18-21,37-40,43-46H,17,22-24H2,1-6H3/b8-7+/t37-,38+,39-,40-,41-,42-/m0/s1
InChIKeyFHRRFIGXKHPHSQ-BMMPSJBNSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2025 (CHEBI:86721) is a lignan (CHEBI:25036)