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CHEBI:86922 - Pinoresinol biphenyl

ChEBI IDCHEBI:86922
ChEBI NamePinoresinol biphenyl
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FormulaC40H42O12
Net Charge0
Average Mass714.764
Monoisotopic Mass714.26763
SMILESCOc1cc(C2OCC3C(c4cc(OC)c(O)c(-c5cc(C6OCC7C(c8ccc(O)c(OC)c8)OCC67)cc(OC)c5O)c4)OCC23)ccc1O
InChIInChI=1S/C40H42O12/c1-45-31-11-19(5-7-29(31)41)37-25-15-51-39(27(25)17-49-37)21-9-23(35(43)33(13-21)47-3)24-10-22(14-34(48-4)36(24)44)40-28-18-50-38(26(28)16-52-40)20-6-8-30(42)32(12-20)46-2/h5-14,25-28,37-44H,15-18H2,1-4H3
InChIKeyXETOWNCUUPBFSP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pinoresinol biphenyl (CHEBI:86922) is a lignan (CHEBI:25036)