input word = C00048425

Metabolite InformationStructural formula
Name Impatienoside D
Formula C59H96O28
Mw 1252.60881249
CAS RN 553677-72-8
C_ID C00048425 ,
InChIKey VITDLFFVKMZRLT-XNHSPXLQNA-N
InChICode InChI=1S/C59H96O28/c1-22-31(64)34(67)39(72)50(79-22)85-44-36(69)33(66)27(19-61)81-52(44)86-45-38(71)37(70)43(48(76)77)84-53(45)82-30-12-13-56(5)28(57(30,6)21-62)11-14-59(8)29(56)10-9-23-24-17-54(2,3)46(75)47(55(24,4)15-16-58(23,59)7)87-49-41(74)42(25(63)20-78-49)83-51-40(73)35(68)32(65)26(18-60)80-51/h9,22,24-47,49-53,60-75H,10-21H2,1-8H3,(H,76,77)/t22-,24-,25-,26+,27+,28+,29+,30-,31-,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,47+,49-,50-,51-,52-,53+,55+,56-,57+,58+,59+/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[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.
zoom in