Ketcher 02271715212D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
   12.7330   -4.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2347   -3.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2347   -3.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1016   -3.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667   -3.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9648   -4.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8336   -3.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6988   -3.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8355   -2.1386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3697   -3.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  7  9  2  0     0  0
  2 10  2  0     0  0
M  END
> <ID>
CHEBI:133390

> <NAME>
beta-(methylenecyclopropyl)pyruvic acid

> <DEFINITION>
A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens has been replaced by a methylenecyclopropyl group.

> <STAR>
3

> <SYNONYM>
methylenecyclopropylpyruvic acid; Ketohypoglycin; 3-(methylenecyclopropyl)pyruvic acid; 2-methylene-alpha-oxocyclopropanepropanoic acid

> <IUPAC_NAME>
3-(2-methylidenecyclopropyl)-2-oxopropanoic acid

> <FORMULA>
C7H8O3

> <MASS>
140.137

> <MONOISOTOPIC_MASS>
140.04734

> <CHARGE>
0

> <SMILES>
C1C(C1CC(=O)C(O)=O)=C

> <INCHI>
InChI=1S/C7H8O3/c1-4-2-5(4)3-6(8)7(9)10/h5H,1-3H2,(H,9,10)

> <INCHIKEY>
IKTGVEIOCJLOFU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5746-24-7

> <CHEMIDPLUS>
5746-24-7

> <METACYC_ACCESSION>
CPD-9739

> <PUBMED_CITATION>
518564

$$$$