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sulforaphane

Properties

Image

Occurences in reactions

MNX_ID

MNXM83071

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₆H₁₁NOS₂

charge

mass

177.02821

reference

InChIKey

SUVMJBTUFCVSAD-UHFFFAOYSA-N

InChI

InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3

SMILES

CS(=O)CCCCN=C=S

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:47807 chebi:47807	sulforaphane 1-isothiocyanato-4-(methylsulfinyl)butane 4-isothiocyanatobutyl methyl sulfoxide Sulforafan Sulforaphane
sabiork.compound:25196 sabiorkM:25196	Sulforaphane
hmdb:HMDB0005792	Sulforaphane (R)-Sulphoraphane 1-Isothiocyanato-4-methylsulphinylbutane 1-isothiocyanato-4-methanesulfinylbutane 4-Methylsulphinylbutyl glucosinolate Methylsulfoxybutylisothiocyanate Sulforafan Sulphorafan Sulphoraphane sulforaphane
metacyc.compound:CPD-19494 metacycM:CPD-19494 seed.compound:cpd33650 seedM:cpd33650	sulforaphane
hmdb:HMDB05792 seedM:M_cpd33650	secondary/obsolete/fantasy identifier