input word = C00007827

Metabolite InformationStructural formula
Name 3-Methylpentyl glucosinolate
Formula C13H25NO9S2
Mw 403.09707287
CAS RN 956700-00-8
C_ID C00007827 ,
InChIKey ISQHSPNQOCVWOY-PHPNGTLINA-N
InChICode InChI=1S/C13H25NO9S2/c1-3-7(2)4-5-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(6-15)22-13/h7-8,10-13,15-18H,3-6H2,1-2H3,(H,19,20,21)/b14-9+/t7-,8+,10+,11+,12-,13-/m1/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CC[C@@H](CC)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeWasabia japonica Ref.
PlantaeBrassicaceaeWasabi japonica Ref.
PlantaeCruciferaeRaphanus sativus Ref.
zoom in



OrganismRaphanus sativus
ReferenceAhmed,Planta Medica,21,(1972),35