input word = C00057394

Metabolite InformationStructural formula
Name 7-(Methylthio)heptyl isothiocyanate
Formula C9H17NS2
Mw 203.08024101
CAS RN 4430-38-0
C_ID C00057394
InChIKey LDIRGNDMTOGVRB-UHFFFAOYSA-N
InChICode InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3
SMILES CSCCCCCCCN=C=S
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeWasabia japonica Ref.
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OrganismWasabia japonica
ReferenceKjaer, A. et al., Acta Chem. Scand., 1957, 11, 1298

1963, 17, 2143 (synth, ms)