18840
  CDK     0404242200

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.0789    0.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6970   -0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319   -0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  2  8  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  8  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:230335

> <NAME>
Cyclopentanecarboxylic acid

> <STAR>
2

> <IUPAC_NAME>
cyclopentanecarboxylic acid

> <FORMULA>
C6H10O2

> <MASS>
114.144

> <MONOISOTOPIC_MASS>
114.06808

> <CHARGE>
0

> <SMILES>
OC(=O)C1CCCC1

> <INCHI>
InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)

> <INCHIKEY>
JBDSSBMEKXHSJF-UHFFFAOYSA-N

> <PDBECHEM_ACCESSION>
IQ0

$$$$