Marvin  05221315142D          

 10  9  0  0  0  0            999 V2000
   12.7678   -2.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4824   -3.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1969   -2.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9114   -3.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1969   -2.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0534   -3.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391   -2.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6245   -3.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9102   -2.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4824   -4.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <ID>
CHEBI:73752

> <NAME>
2-hydroxyheptanoic acid

> <DEFINITION>
A monohydroxy fatty acid that is heptanoic acid with a hydroxy group substituted at position C-2.

> <STAR>
3

> <SYNONYM>
2-hydroxy enanthoic acid

> <IUPAC_NAME>
2-hydroxyheptanoic acid

> <FORMULA>
C7H14O3

> <MASS>
146.18430

> <MONOISOTOPIC_MASS>
146.09429

> <CHARGE>
0

> <SMILES>
CCCCCC(O)C(O)=O

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

> <INCHIKEY>
RGMMREBHCYXQMA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
636-69-1

> <REAXYS_REGISTRY_NUMBER>
1722019

> <CHEMIDPLUS>
636-69-1

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050016

> <PUBMED_CITATION>
20120041

$$$$