input word = C00050239

Metabolite InformationStructural formula
Name 4-Methylsulfinylbutyl isothiocyanate
Sulforaphane
Formula C6H11NOS2
Mw 177.02820544
CAS RN 4478-93-7
C_ID C00050239 ,
InChIKey SUVMJBTUFCVSAD-UHFFFAOYNA-N
InChICode InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1
SMILES S=C=NCCCC[S@@](=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeCardaria draba Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeRaphanus sativus Ref.
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OrganismCardaria draba
ReferenceWang, et al., Handbook of Effective Components in Vegetal Medicines, People Health Press, Beijing, (1986).

Etten, et al., Chem Abstr, 93, (1980), 164396e