input word = C00032686

Metabolite InformationStructural formula
Name Abutiloside J
(-)-Abutiloside J
Formula C48H81NO17
Mw 943.55045017
CAS RN 449176-35-6
C_ID C00032686 ,
InChIKey ZHQCXRFCPPZKIJ-WUBYJVERNA-N
InChICode InChI=1S/C48H81NO17/c1-7-8-34(54)49-19-22(2)9-12-30(51)23(3)35-31(52)18-29-27-11-10-25-17-26(13-15-47(25,5)28(27)14-16-48(29,35)6)63-45-41(60)39(58)42(33(20-50)64-45)65-46-43(38(57)36(55)24(4)62-46)66-44-40(59)37(56)32(53)21-61-44/h22-29,31-33,35-46,50,52-53,55-60H,7-21H2,1-6H3,(H,49,54)/t22-,23-,24+,25+,26+,27-,28+,29+,31-,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45-,46+,47+,48+/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)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[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum abutiloides Ref.
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