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1,4-Dimethoxyglucobrassicin

PropertiesImageOccurences in reactions
MNX_IDMNXM115767Image of MNXM115767
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC18H24N2O11S2
charge0
mass508.08215
referencechebi:169561
InChIKeyOTCXWQPXFQXGTP-CPNJWEJPSA-N
InChIInChI=1S/C18H24N2O11S2/c1-28-11-5-3-4-10-14(11)9(7-20(10)29-2)6-13(19-31-33(25,26)27)32-18-17(24)16(23)15(22)12(8-21)30-18/h3-5,7,12,15-18,21-24H,6,8H2,1-2H3,(H,25,26,27)/b19-13+
SMILESCOc1cccc2c1c(C/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)cn2OC
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:169561
chebi:169561 		1,4-Dimethoxyglucobrassicin
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(1,4-dimethoxyindol-3-yl)-N-sulooxyethanimidothioate
hmdb:HMDB0036986 1,4-Dimethoxyglucobrassicin
1,4-Dimethoxyindol-3-ylmethylglucosinolate
[(E)-[2-(1,4-dimethoxyindol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
{[(E)-[2-(1,4-dimethoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonic acid
{[(e)-[2-(1,4-dimethoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonate
{[(e)-[2-(1,4-dimethoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonate
{[(e)-[2-(1,4-dimethoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid
hmdb:HMDB36986 secondary/obsolete/fantasy identifier