input word = C00032682

Metabolite InformationStructural formula
Name Abutiloside F
(-)-Abutiloside F
Formula C45H76O18
Mw 904.50316563
CAS RN 270926-89-1
C_ID C00032682 ,
InChIKey DYUJFEFMEZBASA-WEUVLTOGNA-N
InChICode InChI=1S/C45H76O18/c1-19(18-58-41-37(55)35(53)33(51)29(16-46)61-41)6-9-27(48)20(2)31-28(49)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)60-43-39(57)36(54)40(30(17-47)62-43)63-42-38(56)34(52)32(50)21(3)59-42/h19-26,28-43,46-47,49-57H,6-18H2,1-5H3/t19-,20-,21+,22+,23+,24-,25+,26+,28-,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,40+,41+,42+,43-,44+,45+/m1/s1
SMILES C[C@H](CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum abutiloides Ref.
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