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N-(beta-D-glucosyl)nicotinate

MNXM4695 is deprecated and here replaced by MNXM736697
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736697 Image of MNXM736697
referencechebi:49125
formulaC12H15NO7
global charge0
mol weight285.252
InChIKeyCRXJVFIHZPTDKA-KAMPLNKDSA-N
InChIInChI=1S/C12H15NO7/c14-5-7-8(15)9(16)10(17)11(20-7)13-3-1-2-6(4-13)12(18)19/h1-4,7-11,14-17H,5H2/t7-,8-,9+,10-,11-/m1/s1
SMILESO=C([O-])C1=C[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1
MNX internals
InChI (mnx)InChI=1/C12H15NO7/c14-5-7-8(15)9(16)10(17)11(20-7)13-3-1-2-6(4-13)12(18)19/h1-4,7-11,14-17H,5H2/t7-,8-,9+,10-,11-/m1/s1 Image of MNXM736697
SMILES (mnx)[CH:1]1=[CH:2][C:6]([C:12](=[O:18])[O-:19])=[CH:4][N+:13]([C@H:11]2[C@H:10]([OH:17])[C@@H:9]([OH:16])[C@H:8]([OH:15])[C@@H:7]([CH2:5][OH:14])[O:20]2)=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:49125
chebi:49125
CRXJVFIHZPTDKA-KAMPLNKDSA-N 		N-(beta-D-glucosyl)nicotinate
1-beta-D-glucopyranosylpyridinium-3-carboxylate

CHEBI:49124
chebi:49124
CRXJVFIHZPTDKA-KAMPLNKDSA-O 		N-(beta-D-glucosyl)nicotinic acid
3-carboxy-1-beta-D-glucopyranosylpyridinium
N-Glucosylnicotinate

kegg.compound:C03003
keggC:C03003
CRXJVFIHZPTDKA-KAMPLNKDSA-O 		N-Glucosylnicotinate

seed.compound:cpd01926
seedM:cpd01926
CRXJVFIHZPTDKA-KAMPLNKDSA-N 		N-Glucosylnicotinate
N-glucosylnicotinate

metacyc.compound:CPD-446
metacycM:CPD-446
CRXJVFIHZPTDKA-KAMPLNKDSA-N 		N-glucosylnicotinate

keggC:M_C03003
seedM:M_cpd01926 		secondary/obsolete/fantasy identifier