input word = C00048422

Metabolite InformationStructural formula
Name Impatienoside A
(-)-Impatienoside A
Formula C42H66O14
Mw 794.44525682
CAS RN 1161733-92-1
C_ID C00048422 ,
InChIKey YDNHBSRZSMNZPB-NJAHCQCINA-N
InChICode InChI=1S/C42H66O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-24,26-33,35-36,43-44,46-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24+,26-,27-,28-,29-,30-,31+,32-,33-,35-,36+,38+,39-,40+,41+,42+/m0/s1
SMILES CC1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(=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@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalsaminaceaeImpatiens siculifer Ref.
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OrganismImpatiens siculifer
ReferenceLi,Phytochem.,70,(2009),816