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 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)C6O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](OC2OC[C@H](O)[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalsaminaceaeImpatiens siculifer Ref.
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