input word = C00048424

Metabolite InformationStructural formula
Name Impatienoside C
(+)-Impatienoside C
Formula C58H94O27
Mw 1222.5982478
CAS RN 1161733-94-3
C_ID C00048424 ,
InChIKey KOYGXAWQHQQPNM-PELKMCIZNA-N
InChICode InChI=1S/C58H94O27/c1-22-31(63)34(66)38(70)49(78-22)83-43-32(64)25(61)19-77-51(43)84-44-37(69)36(68)42(47(74)75)82-52(44)80-30-12-13-55(5)28(56(30,6)21-60)11-14-58(8)29(55)10-9-23-24-17-53(2,3)45(73)46(54(24,4)15-16-57(23,58)7)85-48-40(72)41(26(62)20-76-48)81-50-39(71)35(67)33(65)27(18-59)79-50/h9,22,24-46,48-52,59-73H,10-21H2,1-8H3,(H,74,75)/t22-,24-,25-,26-,27+,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43+,44-,45-,46+,48-,49-,50-,51-,52+,54+,55-,56+,57+,58+/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](CO1)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)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.
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