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

3-Phenylpropyl glucosinolate

PropertiesImageOccurences in reactions
MNX_IDMNXM117615Image of MNXM117615
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC16H23NO9S2
charge0
mass437.08142
referencehmdb:HMDB0038422
InChIKeyAAVHHGNQWFTUKS-SFQUDFHCSA-N
InChIInChI=1S/C16H23NO9S2/c18-9-11-13(19)14(20)15(21)16(25-11)27-12(17-26-28(22,23)24)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13-16,18-21H,4,7-9H2,(H,22,23,24)/b17-12+
SMILESO=S(=O)(O)O/N=C(\CCCc1ccccc1)SC1OC(CO)C(O)C(O)C1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0038422 3-Phenylpropyl glucosinolate
1-Thio-b-D-glucopyranose 1-[N-(sulfooxy)benzenebutanimidate], 9ci
3-Phenylpropyl glucosinolic acid
[(E)-(4-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxysulfonic acid
{[(E)-(4-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxy}sulfonic acid
{[(e)-(4-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxy}sulfonate
{[(e)-(4-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}butylidene)amino]oxy}sulphonate
{[(e)-(4-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}butylidene)amino]oxy}sulphonic acid
hmdb:HMDB38422 secondary/obsolete/fantasy identifier