Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

4-benzoyloxybutyl glucosinolate

PropertiesImageOccurences in reactions
MNX_IDMNXM14719Image of MNXM14719
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC18H25NO11S2
charge0
mass495.0869
referencechebi:145996
InChIKeyIEVWTBIZULGLHA-XKYBNXMZSA-N
InChIInChI=1S/C18H25NO11S2/c20-10-12-14(21)15(22)16(23)18(29-12)31-13(19-30-32(25,26)27)8-4-5-9-28-17(24)11-6-2-1-3-7-11/h1-3,6-7,12,14-16,18,20-23H,4-5,8-10H2,(H,25,26,27)/b19-13+/t12-,14-,15+,16-,18+/m1/s1
SMILESO=C(OCCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:145996
chebi:145996 		4-benzoyloxybutyl glucosinolate
seed.compound:cpd28963
seedM:cpd28963 		4-benzoyloxybutyl glucosinolate
beta-D-glucopyranose, 1-thio-, 1-[5-(benzoyloxy)-N-(sulfooxy)pentanimidate]
metacyc.compound:CPD-12420
metacycM:CPD-12420
seed.compound:cpd23419
seedM:cpd23419 		4-benzoyloxybutylglucosinolate
seedM:M_cpd23419
seedM:M_cpd28963 		secondary/obsolete/fantasy identifier