input word = C00055842

Metabolite InformationStructural formula
Name Erysimoside
Formula C35H52O14
Mw 696.33570637
CAS RN 7082-34-0
C_ID C00055842
InChIKey KQBVSIZPUWODNU-TZLOIDDUSA-N
InChICode InChI=1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19?,20-,21+,22-,23+,24-,26?,27-,28+,29-,30-,31+,32-,33+,34+,35+/m1/s1
SMILES C[C@H]1OC(OC2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeErysimum crepidifolium Ref.
PlantaeCruciferaeErysimum diffusum Ref.
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OrganismErysimum diffusum
ReferenceWink, M., Mitt. Julius Kuehn-Inst., 421, (2009), 93-112.