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CHEBI:86636 - G b S r S acetate

ChEBI IDCHEBI:86636
ChEBI NameG b S r S acetate
Stars
DownloadsMolfile
FormulaC40H46O16
Net Charge0
Average Mass782.792
Monoisotopic Mass782.27859
SMILESCOc1cc(C(OC(C)=O)C(COC(C)=O)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(OC(C)=O)c(OC)c5)OCC34)cc2OC)ccc1OC(C)=O
InChIInChI=1S/C40H46O16/c1-20(41)50-19-35(38(54-22(3)43)24-10-11-29(53-21(2)42)30(12-24)45-5)56-40-33(48-8)15-26(16-34(40)49-9)37-28-18-51-36(27(28)17-52-37)25-13-31(46-6)39(55-23(4)44)32(14-25)47-7/h10-16,27-28,35-38H,17-19H2,1-9H3
InChIKeyPVPTVZSBRUAOPS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
G b S r S acetate (CHEBI:86636) is a lignan (CHEBI:25036)