input word = C00048326

Metabolite InformationStructural formula
Name Benzene acetonitrile
Formula C8H7N
Mw 117.05784923
CAS RN 14029-4
C_ID C00048326 ,
InChIKey SUSQOBVLVYHIEX-UHFFFAOYSA-N
InChICode InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
SMILES c1ccccc1CC
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus aurantifolia Ref.
PlantaeRutaceaeCitrus aurantium Ref.
PlantaeRutaceaeCitrus hystrix Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus sinensis Ref.
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OrganismCitrus limon
ReferenceJabalpurwala,Phytochem.,70,(2009),1428