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4,5-DI-O-CAFFEOYL-1,3-DI-O-COUMAROYL-QUINIC_ACID
SpectraBase Compound ID HdJrdT8syFN
InChI InChI=1S/C43H36O16/c44-29-11-1-25(2-12-29)7-17-37(50)56-35-23-43(42(54)55,59-40(53)20-8-26-3-13-30(45)14-4-26)24-36(57-38(51)18-9-27-5-15-31(46)33(48)21-27)41(35)58-39(52)19-10-28-6-16-32(47)34(49)22-28/h1-22,35-36,41,44-49H,23-24H2,(H,54,55)/b17-7+,18-9+,19-10+,20-8+/t35-,36-,41-,43+/m0/s1
InChIKey NJWGGBNAFGSYNN-QBGPSALYSA-N
Mol Weight 808.7 g/mol
Molecular Formula C43H36O16
Exact Mass 808.200335 g/mol
Enantiomer InChIKey NJWGGBNAFGSYNN-XBSZYNOPSA-N
Unknown Identification

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