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(2S,3R)-2-hydroxy-3-(indol-3-yl)butanoate

MNXM162759 is deprecated and replaced by MNXM1100773
PropertiesImage
MNX_IDMNXM1100773 Image of MNXM1100773
referencechebi:131783
formulaC12H12NO3
global charge-1
mol weight218.232
InChIKeyNUFXPJOTSOMKFZ-HQJQHLMTSA-M
InChIInChI=1S/C12H13NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,11,13-14H,1H3,(H,15,16)/p-1/t7-,11+/m1/s1
SMILESC[C@H](C1=CNC2=CC=CC=C21)[C@H](O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H13NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,11,13-14H,1H3,(H,15,16)/t7-,11+/m1/s1 Image of MNXM1100773
SMILES (mnx)[CH3:1][C@H:7]([C:9]1=[CH:6][NH:13][C:10]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:8]12)[C@@H:11]([C:12](=[O:15])[OH:16])[OH:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:131783
chebi:131783
NUFXPJOTSOMKFZ-HQJQHLMTSA-M 		(2S,3R)-2-hydroxy-3-(indol-3-yl)butanoate
(2S,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
indolmycenate

kegg.compound:C21288
keggC:C21288
NUFXPJOTSOMKFZ-HQJQHLMTSA-N 		(2S,3R)-2-Hydroxy-3-(indol-3-yl)butanoate
Indolmycenate

seed.compound:cpd34552
seedM:cpd34552
NUFXPJOTSOMKFZ-HQJQHLMTSA-M 		(2S,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
(2S,3R)-2-hydroxy-3-(indol-3-yl)butanoate
indolmycenate
indolmycenic acid

metacyc.compound:CPD-18934
metacycM:CPD-18934
NUFXPJOTSOMKFZ-HQJQHLMTSA-M 		indolmycenate
(2S,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
(2S,3R)-2-hydroxy-3-(indol-3-yl)butanoate
indolmycenic acid

CHEBI:132117
chebi:132117
NUFXPJOTSOMKFZ-HQJQHLMTSA-N 		indolmycenic acid
(2S,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoic acid

keggC:M_C21288
seedM:M_cpd34552 		secondary/obsolete/fantasy identifier