input word = C00058709

Metabolite InformationStructural formula
Name Robinioside J
Formula C59H96O28
Mw 1252.60881249
CAS RN 149716-85-8
C_ID C00058709
InChIKey RTVIFPJZIYTOOF-UHFFFAOYSA-N
InChICode InChI=1S/C59H96O28/c1-24-33(64)36(67)42(73)49(81-24)86-44-38(69)34(65)27(18-60)82-50(44)87-45-40(71)39(70)43(47(75)76)85-51(45)84-32-11-12-55(4)29(56(32,5)20-61)10-13-58(7)30(55)9-8-25-26-16-53(2,17-31(63)54(26,3)14-15-57(25,58)6)22-79-48-41(72)37(68)35(66)28(83-48)19-78-52-46(74)59(77,21-62)23-80-52/h8,24,26-46,48-52,60-74,77H,9-23H2,1-7H3,(H,75,76)
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(COC8OC(COC9OCC(O)(CO)C9O)C(O)C(O)C8O)CC(O)C7(C)CCC56C)C4(C)CO)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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