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N-demethylindolmycin

MNXM162767 is deprecated and here replaced by MNXM1105093
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105093 Image of MNXM1105093
referencechebi:91178
formulaC13H14N3O2
global charge1
mol weight244.274
InChIKeyJMQXZRUQJGJVSC-HQJQHLMTSA-O
InChIInChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/p+1/t7-,11+/m1/s1
SMILESC[C@H](C1=CNC2=CC=CC=C21)[C@@H]1OC(N)=[NH+]C1=O
MNX internals
InChI (mnx)InChI=1/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1 Image of MNXM1105093
SMILES (mnx)[CH3:1][C@H:7]([C:9]1=[CH:6][NH:15][C:10]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:8]12)[C@H:11]1[C:12]([OH:17])=[N:16][C:13](=[NH:14])[O:18]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:91178
chebi:91178
JMQXZRUQJGJVSC-HQJQHLMTSA-O 		N-demethylindolmycin
(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-4-oxo-4,5-dihydro-1,3-oxazol-3-ium
N-demethylindolmycin(1+)

kegg.compound:C21443
keggC:C21443
JMQXZRUQJGJVSC-HQJQHLMTSA-N 		N-Demethylindolmycin

seed.compound:cpd31734
seedM:cpd31734
JMQXZRUQJGJVSC-DKSCNQEISA-N 		N-demethylindolmycin

CHEBI:111763
chebi:111763
JMQXZRUQJGJVSC-HQJQHLMTSA-N 		N-demethylindolmycin
(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one

keggC:M_C21443
seedM:M_cpd31734 		secondary/obsolete/fantasy identifier