input word = C00000137

Metabolite InformationStructural formula
Name (R)-7-Methylsulfinyl heptyl isothiocyanate
Formula C9H17NOS2
Mw 219.07515563
CAS RN 31456-69-6
C_ID C00000137 ,
InChIKey OGYHCBGORZWBPH-UHFFFAOYNA-N
InChICode InChI=1S/C9H17NOS2/c1-13(11)8-6-4-2-3-5-7-10-9-12/h2-8H2,1H3/t13-/m1/s1
SMILES C[S@@](=O)CCCCCCCN=C=S
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRorippa indica (L.) Hiern. Ref.
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