input word = C00051647

Metabolite InformationStructural formula
Name Mubenoside A
Formula C45H72O17
Mw 884.47695088
CAS RN 135630-75-0
C_ID C00051647
InChIKey MAJGTFNADMWWDN-UHFFFAOYNA-N
InChICode InChI=1S/C45H72O17/c1-40(2)26-9-12-44(6)27(8-7-21-22-17-41(3,56)13-15-45(22,39(54)55)16-14-43(21,44)5)42(26,4)11-10-28(40)60-38-35(62-37-33(53)30(50)24(48)20-58-37)34(31(51)25(18-46)59-38)61-36-32(52)29(49)23(47)19-57-36/h7,22-38,46-53,56H,8-20H2,1-6H3,(H,54,55)
SMILES CC1(O)CCC2(OC=O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeStauntonia hexaphylla Ref.
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OrganismStauntonia hexaphylla
ReferenceIkuta, et al., Phytochemistry, 30, (1991), 2425