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CHEBI:86923 - Pinoresinol biphenyl acetate

ChEBI IDCHEBI:86923
ChEBI NamePinoresinol biphenyl acetate
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DownloadsMolfile
FormulaC48H50O16
Net Charge0
Average Mass882.912
Monoisotopic Mass882.30989
SMILESCOc1cc(C2OCC3C(c4cc(OC)c(OC(C)=O)c(-c5cc(C6OCC7C(c8ccc(OC(C)=O)c(OC)c8)OCC67)cc(OC)c5OC(C)=O)c4)OCC23)ccc1OC(C)=O
InChIInChI=1S/C48H50O16/c1-23(49)61-37-11-9-27(15-39(37)53-5)43-33-19-59-45(35(33)21-57-43)29-13-31(47(63-25(3)51)41(17-29)55-7)32-14-30(18-42(56-8)48(32)64-26(4)52)46-36-22-58-44(34(36)20-60-46)28-10-12-38(62-24(2)50)40(16-28)54-6/h9-18,33-36,43-46H,19-22H2,1-8H3
InChIKeyYWTYILWULHKBRZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pinoresinol biphenyl acetate (CHEBI:86923) is a lignan (CHEBI:25036)