Ketcher 02171711292D 1   1.00000     0.00000     0

 13 13  0     0  0            999 V2000
   10.4843   -8.2825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0823   -9.7825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2163  -11.2825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0824   -8.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2163   -7.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4843  -10.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4843  -10.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9843  -11.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3504   -9.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3504   -8.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2163  -10.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9843  -12.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2163   -8.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0     0  0
  2 11  1  0     0  0
  3 11  2  0     0  0
  4 13  1  0     0  0
  5 13  2  0     0  0
  6  7  1  0     0  0
  6  8  1  0     0  0
  6  9  1  0     0  0
  7  8  1  0     0  0
  8 12  2  0     0  0
  9 10  1  0     0  0
  9 11  1  0     0  0
 10 13  1  0     0  0
M  END
> <ID>
CHEBI:133310

> <NAME>
2-hydroxy-3-(2-methylidenecyclopropyl)butanedioic acid

> <DEFINITION>
A 2-hydroxydicarboxylic acid that is malic acid in which one of the methylene hydrogens at position 3 has been replaced by a methylidenecyclopropyl group.

> <STAR>
3

> <IUPAC_NAME>
2-hydroxy-3-(2-methylidenecyclopropyl)butanedioic acid

> <FORMULA>
C8H10O5

> <MASS>
186.162

> <MONOISOTOPIC_MASS>
186.05282

> <CHARGE>
0

> <SMILES>
OC(C(C1CC1=C)C(O)=O)C(O)=O

> <INCHI>
InChI=1S/C8H10O5/c1-3-2-4(3)5(7(10)11)6(9)8(12)13/h4-6,9H,1-2H2,(H,10,11)(H,12,13)

> <INCHIKEY>
HEWAJTLQEJUAGF-UHFFFAOYSA-N

$$$$