input word = C00007359

Metabolite InformationStructural formula
Name 4-Benzoyloxybutyl glucosinolate
Formula C18H25NO11S2
Mw 495.08690211
CAS RN 80667-69-2
C_ID C00007359 ,
InChIKey IEVWTBIZULGLHA-KGFVCVQSNA-N
InChICode InChI=1S/C18H25NO11S2/c20-10-12-14(21)15(22)16(23)18(29-12)31-13(19-30-32(25,26)27)8-4-5-9-28-17(24)11-6-2-1-3-7-11/h1-3,6-7,12,14-16,18,20-23H,4-5,8-10H2,(H,25,26,27)/b19-13-/t12-,14-,15+,16-,18+/m1/s1
SMILES [C@H]1([C@H](O[C@H]([C@@H]([C@H]1O)O)S/C(=N\OS(=O)(=O)O)/CCCCOC(=O)c1ccccc1)CO)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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OrganismArabidopsis thaliana
ReferencePlant J.,33,(2003),923

Brown,Phytochem.,62,(2003),471