input word = C00007802

Metabolite InformationStructural formula
Name n-Hexyl glucosinolate
Formula C13H25NO9S2
Mw 403.09707287
CAS RN
C_ID C00007802 ,
InChIKey NUTWTZOAYGJICT-JLBVWOJINA-N
InChICode InChI=1S/C13H25NO9S2/c1-2-3-4-5-6-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/b14-9-/t8-,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)/CCCCCC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus Ref.
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