input word = C00007828

Metabolite InformationStructural formula
Name 4-Methylpentyl glucosinolate
Formula C13H25NO9S2
Mw 403.09707287
CAS RN
C_ID C00007828 ,
InChIKey PVFJQLBPPQHTLU-JLBVWOJINA-N
InChICode InChI=1S/C13H25NO9S2/c1-7(2)4-3-5-9(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+/t8-,10-,11+,12+,13+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CCCC(C)C)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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OrganismRaphanus sativus
ReferenceAhmed,Planta Medica,21,(1972),35