input word = C00056782

Metabolite InformationStructural formula
Name Hexyl glucosinolate
Formula C13H25NO9S2
Mw 403.09707287
CAS RN 127929-25-3
C_ID C00056782
InChIKey NUTWTZOAYGJICT-CBEPRAPJSA-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 CCCCCC/C(=N/OS(=O)(=O)O)S[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
PlantaeCruciferaeRaphanus sativus Ref.
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