input word = C00057471

Metabolite InformationStructural formula
Name 4-Phenylbutyl isothiocyanate
Formula C11H13NS
Mw 191.07687015
CAS RN 61499-10-3
C_ID C00057471
InChIKey CCBQOLFAKKAMLD-UHFFFAOYSA-N
InChICode InChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
SMILES S=C=NCCCCC1=CC=CC=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArmoracia lapathifolia Ref.
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