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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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The Swiss Initiative in Systems Biology

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benzyl isothiocyanate

Properties

Image

Occurences in reactions

MNX_ID

MNXM3923

Image of MNXM3923

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₈H₇NS

charge

0

mass

149.02992

reference

InChIKey

MDKCFLQDBWCQCV-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

SMILES

S=C=NCc1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17484 chebi:17484	benzyl isothiocyanate (isothiocyanatomethyl)benzene Benzyl isothiocyanate Benzylsenfoel Isothiocyanic acid, benzyl ester alpha-isothiocyanatotoluene
sabiork.compound:6450 sabiorkM:6450 kegg.compound:C03098 keggC:C03098	Benzyl isothiocyanate
hmdb:HMDB0033969	Benzyl isothiocyanate (Isothiocyanatomethyl)-benzene (Isothiocyanatomethyl)benzene (Isothiocyanatomethyl)benzene, 9ci (isothiocyanatomethyl)benzene 3-Benzylisothiocyanic acid AB 2 Benzyl isothio cyanate Benzyl isothiocyanic acid Benzyl mustard oil Benzyl-isothiocyanate Benzylisothiocyanate Benzylsenfoel Isothiocyanate, benzyl ester Isothiocyanato-methyl-benzene Isothiocyanic acid benzyl ester Isothiocyanic acid, benzyl ester Isothiocyanotaomethylbenzene Phenylmethyl isothiocyanate Pmitc CPD Tromacaps Tromalyt Tromalyt active substance Tromocaps Urogran a-Isothiocyanatotoluene alpha-Isothiocyanato-toluene alpha-Isothiocyanatotoluene alpha-isothiocyanatotoluene benzyl isothiocyanate
seed.compound:cpd01989 seedM:cpd01989	Benzyl isothiocyanate benzylisothiocyanate
metacyc.compound:BENZYL-ISOTHIOCYANATE metacycM:BENZYL-ISOTHIOCYANATE	benzylisothiocyanate
hmdb:HMDB33969 chebi:13889 chebi:22745 chebi:3054 keggC:M_C03098 seedM:M_cpd01989	secondary/obsolete/fantasy identifier