Marvin  10301215332D          

  9  9  0  0  0  0            999 V2000
   20.7301   -2.4324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7738   -1.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8801   -2.9596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4676   -1.6901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5476   -2.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3323   -2.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2926   -1.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2126   -2.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9453   -2.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <ID>
CHEBI:70804

> <NAME>
imidazol-5-ylacetic acid

> <DEFINITION>
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.

> <STAR>
3

> <SYNONYM>
2-(1H-imidazole-5-yl)acetic acid

> <IUPAC_NAME>
1H-imidazol-5-ylacetic acid

> <FORMULA>
C5H6N2O2

> <MASS>
126.11330

> <MONOISOTOPIC_MASS>
126.04293

> <CHARGE>
0

> <SMILES>
OC(=O)Cc1cnc[nH]1

> <INCHI>
InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)

> <INCHIKEY>
PRJKNHOMHKJCEJ-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
607317

> <PUBMED_CITATION>
22770225

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