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neoglucobrassicin

MNXM19840 is deprecated and here replaced by MNXM732207
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM732207Image of MNXM732207
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC17H22N2O10S2
charge0
mass478.07159
referencechebi:27506
InChIKeyPKKMITFKYRCCOL-CMZRPVNOSA-N
InChIInChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/t12-,14-,15+,16-,17+/m1/s1
SMILESCOn1cc(CC(=NOS(=O)(=O)O)S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc21
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:27506
chebi:27506 		neoglucobrassicin
1-Methoxy-3-indolylmethyl glucosinolate
1-Methoxy-3-indolylmethylglucosinolate
1-S-[2-(1-methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
1-methoxyindol-3-ylmethylglucosinolate
MIMG
Neoglucobrassicin
kegg.compound:C08424
keggC:C08424 		Neoglucobrassicin
1-Methoxy-3-indolylmethyl glucosinolate
CHEBI:64965
chebi:64965 		neoglucobrassicin(1-)
1-S-[2-(1-methoxy-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
neoglucobrassicin anion
chebi:25494
chebi:7503
keggC:M_C08424 		secondary/obsolete/fantasy identifier