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CHEBI:86934 - S b S r S acetate

ChEBI IDCHEBI:86934
ChEBI NameS b S r S acetate
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DownloadsMolfile
FormulaC41H48O17
Net Charge0
Average Mass812.818
Monoisotopic Mass812.28915
SMILESCOc1cc(C(OC(C)=O)C(COC(C)=O)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(OC(C)=O)c(OC)c5)OCC34)cc2OC)cc(OC)c1OC(C)=O
InChIInChI=1S/C41H48O17/c1-20(42)52-19-35(38(55-21(2)43)26-15-31(48-7)40(57-23(4)45)32(16-26)49-8)58-41-33(50-9)13-25(14-34(41)51-10)37-28-18-53-36(27(28)17-54-37)24-11-29(46-5)39(56-22(3)44)30(12-24)47-6/h11-16,27-28,35-38H,17-19H2,1-10H3
InChIKeyONHQSYOGMLLGMS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
S b S r S acetate (CHEBI:86934) is a lignan (CHEBI:25036)