Mrv0541 11061313352D          

  8  8  0  0  0  0            999 V2000
    3.3148   -3.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397   -3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3966   -4.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7273   -4.6061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622   -4.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101   -2.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -1.9079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338   -2.5495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  3  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <ID>
CHEBI:68076

> <NAME>
pyrrole-3-carboxylic acid

> <DEFINITION>
A pyrrolecarboxylic acid that is 1H-pyrrole substituted by a carboxy group at position 3. It has been isolated from Penicillium chrysogenum.

> <STAR>
3

> <IUPAC_NAME>
1H-pyrrole-3-carboxylic acid

> <FORMULA>
C5H5NO2

> <MASS>
111.09870

> <MONOISOTOPIC_MASS>
111.03203

> <CHARGE>
0

> <SMILES>
OC(=O)c1cc[nH]c1

> <INCHI>
InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)

> <INCHIKEY>
DOYOPBSXEIZLRE-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
108642

> <PUBMED_CITATION>
21381678

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