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(Z)-glucotropeolin

MNXM3611 is deprecated and here replaced by MNXM734821
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734821 Image of MNXM734821
referencechebi:58021
formulaC14H18NO9S2
global charge-1
mol weight408.43
InChIKeyQQGLQYQXUKHWPX-RFEZBLSLSA-M
InChIInChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/p-1/b15-10-/t9-,11-,12+,13-,14+/m1/s1
SMILESO=S(=O)([O-])O/N=C(/CC1=CC=CC=C1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 Image of MNXM734821
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6]/[C:10](=[N:15]/[O:24][S:26]([OH:20])(=[O:21])=[O:22])[S:25][C@H:14]2[C@H:13]([OH:19])[C@@H:12]([OH:18])[C@H:11]([OH:17])[C@@H:9]([CH2:7][OH:16])[O:23]2)[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58021
chebi:58021
QQGLQYQXUKHWPX-RFEZBLSLSA-M 		(Z)-glucotropeolin
1-S-[(1Z)-2-phenyl-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
glucotropeolin anion
glucotropeolin(1-)
hmdb:HMDB0038419
QQGLQYQXUKHWPX-RFEZBLSLSA-N 		Glucotropaeolin
Benzyl glucosinolate
Benzylglucosinolate
Glucotropeolin
Tropaeolin
[(E)-(2-phenyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxysulfonic acid
{[(E)-(2-phenyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxy}sulfonic acid

kegg.compound:C02153
keggC:C02153
QQGLQYQXUKHWPX-RFEZBLSLSA-N 		Glucotropaeolin
Benzyl glucosinolate
Glucotropeolin

seed.compound:cpd01457
seedM:cpd01457
QQGLQYQXUKHWPX-RFEZBLSLSA-M 		Glucotropeolin
Benzyl glucosinolate
Glucotropaeolin
benzylglucosinolate
glucotropaeolin
glucotropeolin

metacyc.compound:GLUCOTROPEOLIN
metacycM:GLUCOTROPEOLIN
QQGLQYQXUKHWPX-RFEZBLSLSA-M 		glucotropaeolin
glucotropeolin

CHEBI:17127
chebi:17127
QQGLQYQXUKHWPX-RFEZBLSLSA-N 		glucotropeolin
1-S-[(1Z)-2-phenyl-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
Benzyl glucosinolate
Glucotropaeolin
Glucotropeolin
benzylglucosinolate

hmdb:HMDB38419
chebi:14317
chebi:22749
chebi:24295
chebi:5425
keggC:M_C02153
seedM:M_cpd01457 		secondary/obsolete/fantasy identifier