input word = C00032685

Metabolite InformationStructural formula
Name Abutiloside I
(-)-Abutiloside I
Formula C44H75NO13
Mw 825.52384149
CAS RN 449176-33-4
C_ID C00032685 ,
InChIKey STDPTONWBYPZDQ-SZRZHBDANA-N
InChICode InChI=1S/C44H75NO13/c1-8-22(3)40(54)45-19-21(2)9-12-30(47)23(4)33-31(48)18-29-27-11-10-25-17-26(13-15-43(25,6)28(27)14-16-44(29,33)7)56-42-38(53)36(51)39(32(20-46)57-42)58-41-37(52)35(50)34(49)24(5)55-41/h21-29,31-39,41-42,46,48-53H,8-20H2,1-7H3,(H,45,54)/t21-,22+,23+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-,35+,36-,37+,38+,39+,41-,42+,43-,44-/m0/s1
SMILES CCC(C)C(=O)NCC(C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4C[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
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum abutiloides Ref.
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