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CHEBI:86638 - G b S r S b G acetate

ChEBI IDCHEBI:86638
ChEBI NameG b S r S b G acetate
Stars
DownloadsMolfile
FormulaC54H62O22
Net Charge0
Average Mass1063.068
Monoisotopic Mass1062.37327
SMILESCOc1cc(C(OC(C)=O)C(COC(C)=O)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(OC(COC(C)=O)C(OC(C)=O)c6ccc(OC(C)=O)c(OC)c6)c(OC)c5)OCC34)cc2OC)ccc1OC(C)=O
InChIInChI=1S/C54H62O22/c1-27(55)67-25-47(51(73-31(5)59)33-13-15-39(71-29(3)57)41(17-33)61-7)75-53-43(63-9)19-35(20-44(53)64-10)49-37-23-70-50(38(37)24-69-49)36-21-45(65-11)54(46(22-36)66-12)76-48(26-68-28(2)56)52(74-32(6)60)34-14-16-40(72-30(4)58)42(18-34)62-8/h13-22,37-38,47-52H,23-26H2,1-12H3
InChIKeyBHSRFQQARRZECZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
G b S r S b G acetate (CHEBI:86638) is a lignan (CHEBI:25036)