input word = C00057426

Metabolite InformationStructural formula
Name 2-Propenyl glucosinolate
Formula C10H17NO9S2
Mw 359.03447261
CAS RN 534-69-0
C_ID C00057426
InChIKey PHZOWSSBXJXFOR-GLVDENFASA-N
InChICode InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6-/t5-,7-,8+,9-,10+/m1/s1
SMILES O[C@@H]1[C@@H](CO)O[C@@H](S/C(CC=C)=NOS(O)(=O)=O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica nigra Ref.
PlantaeCruciferaeBrassica oleraceae Ref.
zoom in