input word = C00055119

Metabolite InformationStructural formula
Name Ampeloside Bf1
Formula C51H86O26
Mw 1114.54073292
CAS RN 118524-13-3
C_ID C00055119
InChIKey RPLNTGAJLNTPGI-UHFFFAOYSA-N
InChICode InChI=1S/C51H86O26/c1-18(17-69-45-39(64)36(61)33(58)28(13-52)71-45)5-8-51(68)19(2)32-27(77-51)10-22-20-9-24(56)23-11-26(25(57)12-50(23,4)21(20)6-7-49(22,32)3)70-46-41(66)38(63)43(31(16-55)74-46)75-48-42(67)44(35(60)30(15-54)73-48)76-47-40(65)37(62)34(59)29(14-53)72-47/h18-48,52-68H,5-17H2,1-4H3
SMILES OC1C(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC4CC(C(O)CC5C6CCC7(C)C5CC8C7C(C)C(CCC(C)COC9C(O)C(O)C(O)C(CO)O9)(O)O8)C6(C)CC4O)OC3CO)C2O)OC(CO)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium ampeloprasum Ref.
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