input word = C00044767

Metabolite InformationStructural formula
Name Funingenoside D
(-)-Funingenoside D
Formula C50H78O24
Mw 1062.48830342
CAS RN 587876-17-3
C_ID C00044767 ,
InChIKey LQHZWAVEZQFPAP-LUUJWNHNNA-N
InChICode InChI=1S/C50H78O24/c1-20-42(74-46-41(62)38(59)35(56)29(73-46)19-67-45-40(61)37(58)34(55)28(72-45)18-66-44-39(60)36(57)33(54)27(16-51)71-44)26(64-5)15-32(68-20)70-25-8-10-48(3)24(43(25)69-21(2)52)7-13-50-12-6-23(22-14-31(53)65-17-22)49(4,47(50)63)11-9-30(48)50/h20,22-30,32-46,51,54-62H,6-19H2,1-5H3/t20-,22-,23+,24-,25-,26+,27+,28+,29+,30+,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46-,48-,49+,50-/m0/s1
SMILES CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]45CC[C@H]([C@@H]6COC(=O)C6)[C@@](C)(CC[C@@H]43)C5=O)[C@H]2OC(C)=O)O[C@@H](C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeParepigynum funingense Ref.
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