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2,6-dihydroxypseudooxynicotine

MNXM2916 is deprecated and here replaced by MNXM1368965
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368965 Image of MNXM1368965
referencechebi:66944
formulaC10H15N2O3
global charge1
mol weight211.241
InChIKeyJJJLAXLRPLCXNT-UHFFFAOYSA-O
InChIInChI=1S/C10H14N2O3/c1-11-6-2-3-8(13)7-4-5-9(14)12-10(7)15/h4-5,11H,2-3,6H2,1H3,(H2,12,14,15)/p+1
SMILESC[NH2+]CCCC(=O)C1=CC=C(O)N=C1O
MNX internals
InChI (mnx)InChI=1/C10H14N2O3/c1-11-6-2-3-8(13)7-4-5-9(14)12-10(7)15/h4-5,11H,2-3,6H2,1H3,(H2,12,14,15) Image of MNXM1368965
SMILES (mnx)[CH3:1][NH:11][CH2:6][CH2:2][CH2:3][C:8]([C:7]1=[C:10]([OH:15])[N:12]=[C:9]([OH:14])[CH:5]=[CH:4]1)=[O:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66944
chebi:66944
JJJLAXLRPLCXNT-UHFFFAOYSA-O 		2,6-dihydroxypseudooxynicotine
2,6-dihydroxypseudooxynicotinium(1+)
4-(2,6-dihydroxypyridin-3-yl)-N-methyl-4-oxobutan-1-aminium

envipath:...683951723056
envipathM:...683951723056
sabiork.compound:28309
sabiorkM:28309
vmhM:26dhponctn
vmhmetabolite:26dhponctn
JJJLAXLRPLCXNT-UHFFFAOYSA-N
JJJLAXLRPLCXNT-UHFFFAOYSA-O 		2,6-Dihydroxypseudooxynicotine

kegg.compound:C15986
keggC:C15986
JJJLAXLRPLCXNT-UHFFFAOYSA-N 		2,6-Dihydroxypseudooxynicotine
1-(2,6-Dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one

CHEBI:28220
chebi:28220
JJJLAXLRPLCXNT-UHFFFAOYSA-N 		2,6-dihydroxypseudooxynicotine
1-(2,6-dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one

metacyc.compound:CPD-113
metacycM:CPD-113
JJJLAXLRPLCXNT-UHFFFAOYSA-O 		2,6-dihydroxypseudooxynicotine
2,6-dihydroxy-pseudo-oxynicotine

envipath:...93c02df1f586
envipathM:...93c02df1f586
JJJLAXLRPLCXNT-UHFFFAOYSA-N 		compound 0072156

chebi:19401
keggC:M_C15986
vmhM:M_26dhponctn 		secondary/obsolete/fantasy identifier