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 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)CNC(=O)CCC)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) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum abutiloides Ref.
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