2750948
  CDK     1106201723

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.7935   -0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3 10  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:165410

> <NAME>
4-Hydroxyenanthoic acid

> <STAR>
2

> <IUPAC_NAME>
4-hydroxyheptanoic acid

> <FORMULA>
C7H14O3

> <MASS>
146.186

> <MONOISOTOPIC_MASS>
146.09429

> <CHARGE>
0

> <SMILES>
OC(CCC)CCC(O)=O

> <INCHI>
InChI=1S/C7H14O3/c1-2-3-6(8)4-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)

> <INCHIKEY>
MYCCAWPBMVOJQF-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050017

$$$$