input word = C00058701

Metabolite InformationStructural formula
Name Robinioside A
Formula C48H76O19
Mw 956.49808025
CAS RN 148332-54-1
C_ID C00058701
InChIKey KBUDSKUKPVHZKZ-UHFFFAOYSA-N
InChICode InChI=1S/C48H76O19/c1-20-28(51)30(53)34(57)39(62-20)66-36-31(54)29(52)23(19-49)63-40(36)67-37-33(56)32(55)35(38(58)59)65-41(37)64-27-12-13-46(6)24(43(27,2)3)11-14-48(8)25(46)10-9-21-22-17-44(4,42(60)61)18-26(50)45(22,5)15-16-47(21,48)7/h9,20,22-37,39-41,49-57H,10-19H2,1-8H3,(H,58,59)(H,60,61)
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C(=O)O)CC(O)C7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeRobinia pseudoacacia Ref.
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