input word = C00052216

Metabolite InformationStructural formula
Name Benzothiazole
Formula C7H5NS
Mw 135.0142699
CAS RN 95-16-9
C_ID C00052216
InChIKey IOJUPLGTWVMSFF-UHFFFAOYSA-N
InChICode InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
SMILES C1(N=CS2)=C2C=CC=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeAnacardium occidentale Ref.
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRubiaceaeCoffea arabica Ref.
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OrganismPrunus avium
ReferenceCozzolino, R. et al., Food Chem., 286, (2019), 659-668.