input word = C00055120

Metabolite InformationStructural formula
Name Ampeloside Bf2
Formula C45H76O21
Mw 952.48790949
CAS RN 118543-10-5
C_ID C00055120
InChIKey UTRJXEOCVQXSFY-UHFFFAOYSA-N
InChICode InChI=1S/C45H76O21/c1-17(16-60-40-36(56)33(53)31(51)27(13-46)62-40)5-8-45(59)18(2)30-26(66-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)61-41-38(58)35(55)39(29(15-48)64-41)65-42-37(57)34(54)32(52)28(14-47)63-42/h17-42,46-59H,5-16H2,1-4H3
SMILES OC1C(O)C(CO)OC(OC2C(O)C(O)C(OC3CC(C(O)CC4C5CCC6(C)C4CC7C6C(C)C(CCC(C)COC8C(O)C(O)C(O)C(CO)O8)(O)O7)C5(C)CC3O)OC2CO)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium ampeloprasum Ref.
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