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 C1[C@]2([C@H]([C@]([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)C(=O)O)(CO)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1=O)(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalsaminaceaeImpatiens siculifer Ref.
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