input word = C00032687

Metabolite InformationStructural formula
Name Abutiloside K
(-)-Abutiloside K
Formula C43H73NO13
Mw 811.50819143
CAS RN 449178-14-7
C_ID C00032687 ,
InChIKey CAAZAEDZLMPWRX-WMWKCIAINA-N
InChICode InChI=1S/C43H73NO13/c1-7-8-32(48)44-19-21(2)9-12-29(46)22(3)33-30(47)18-28-26-11-10-24-17-25(13-15-42(24,5)27(26)14-16-43(28,33)6)55-41-38(53)36(51)39(31(20-45)56-41)57-40-37(52)35(50)34(49)23(4)54-40/h21-28,30-31,33-41,45,47,49-53H,7-20H2,1-6H3,(H,44,48)/t21-,22+,23-,24-,25-,26+,27-,28-,30+,31+,33-,34-,35+,36-,37+,38+,39+,40-,41+,42-,43-/m0/s1
SMILES CCCC(=O)NCC(C)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
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum abutiloides Ref.
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