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 C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H]([C@@H](C2)O)[C@@H](C(=O)CC[C@@H](C)CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum abutiloides Ref.
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