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Details of benzyl thiocyanate

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Role Metabolite
MPIMP IDM001522
stereoisomer 
isotopomerambient
formulaC8H7NS
molecular mass149.214
monoisotopic mass149.02992
InChIInChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKeyABNDFSOIUFLJAH-UHFFFAOYSA-N
class 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27ac4f2aa3-7004-4730-a994-85d23cee1902%27)

Synonyms of benzyl thiocyanate

propertyvalue
CAS3012-37-1
ChEBI IDCHEBI:16017
ChEBI ontologyis a thiocyanates
ChemSpider ID17163
MetaCycCPD-65
synonymalpha-Thiocyanatotoluene
synonymbenzyl thiocyanate
synonymSolvat 14
synonymThiocyanic acid benzyl ester
synonymThiocyanic acid, phenylmethyl ester
11 synonym(s)
    of 2    

Derivatives of benzyl thiocyanate

Reference substances of benzyl thiocyanate

reference substancesuppliersupplier codelot
No Reference substances found!

Isotopomers and stereoisomers of benzyl thiocyanate

Quantitative benzyl thiocyanate Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.
NameOrganismFactorHeatmapBox plotVarianceAnova F score
no metabolite profile(s) found.

Qualitative benzyl thiocyanate Profile Data

species
no qualitative metabolite profile data available!
compound timestamp information
deposited at 9/24/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/7/2013 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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