input word = C00048423

Metabolite InformationStructural formula
Name Impatienoside B
(+)-Impatienoside B
Formula C47H76O19
Mw 944.49808025
CAS RN 1161733-93-2
C_ID C00048423 ,
InChIKey JOYRPJKYBFXDAS-XRRMPFEINA-N
InChICode InChI=1S/C47H76O19/c1-42(2)16-21-20-8-9-25-44(4)12-11-26(63-41-32(56)29(53)30(54)35(65-41)38(59)60)45(5,19-49)24(44)10-13-47(25,7)46(20,6)15-14-43(21,3)37(36(42)58)66-39-33(57)34(22(50)18-61-39)64-40-31(55)28(52)27(51)23(17-48)62-40/h8,21-37,39-41,48-58H,9-19H2,1-7H3,(H,59,60)/t21-,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36-,37+,39-,40+,41+,43+,44-,45+,46+,47+/m0/s1
SMILES C1[C@]2([C@H]([C@]([C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)C(=O)O)(CO)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC([C@H]([C@H]1O[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalsaminaceaeImpatiens siculifer Ref.
zoom in