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28-O-[GLUCOPYRANOSYL-(1->3)-(2-COUMAROYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
SpectraBase Compound ID KK7xDwqy3oQ
InChI InChI=1S/C50H72O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-13,15,29-35,37-43,51-55,57-59H,14,16-25H2,1-7H3/b15-10+/t29?,30-,31-,32?,33?,34+,35-,37-,38+,39-,40+,41-,42+,43+,47+,48-,49-,50-/m1/s1
InChIKey MTYGCVPOKVNXNH-FAIHLWDPSA-N
Mol Weight 913.1 g/mol
Molecular Formula C50H72O15
Exact Mass 912.487122 g/mol
Enantiomer InChIKey MTYGCVPOKVNXNH-VQCLXREXSA-N
Unknown Identification

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