input word = C00056771

Metabolite InformationStructural formula
Name (1-Methoxyindol-3-yl)methyl isothiocyanate
Formula C11H10N2OS
Mw 218.05138369
CAS RN 126769-93-5
C_ID C00056771
InChIKey FLURSKCCKANNKS-UHFFFAOYSA-N
InChICode InChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3
SMILES COn1cc(CN=C=S)c2ccccc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica napus Ref.
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OrganismBrassica napus
ReferenceHanley, A.B. et al., JCS Perkin 1, 1990, 2273