input word = C00054757

Metabolite InformationStructural formula
Name Azukisaponin VI
Formula C54H86O25
Mw 1134.5458183
CAS RN 82801-39-6
C_ID C00054757
InChIKey YRJVEPWBEBAMTP-UHFFFAOYSA-N
InChICode InChI=1S/C54H86O25/c1-49-13-14-50(2,48(71)79-46-40(68)35(63)32(60)26(75-46)20-72-44-38(66)33(61)30(58)24(18-55)73-44)17-23(49)22-7-8-28-51(3)11-10-29(52(4,21-57)27(51)9-12-54(28,6)53(22,5)16-15-49)76-47-42(37(65)36(64)41(77-47)43(69)70)78-45-39(67)34(62)31(59)25(19-56)74-45/h7,23-42,44-47,55-68H,8-21H2,1-6H3,(H,69,70)
SMILES CC1(CCC23C)CCC(CC1C2=CCC4C(CCC(OC5C(OC6C(O)C(O)C(O)C(CO)O6)C(O)C(O)C(C(O)=O)O5)C7(CO)C)(C7CCC43C)C)(C(OC8C(O)C(O)C(O)C(COC9C(O)C(O)C(O)C(CO)O9)O8)=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVigna angularis Ref.
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