Mrv0541 06131412032D          

 10  9  0  0  1  0            999 V2000
   12.9189  -24.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6322  -22.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6322  -23.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9178  -22.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9178  -23.6706    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2032  -22.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2032  -23.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3467  -22.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3439  -21.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0595  -22.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5  1  1  1  0  0  0
M  END
> <ID>
CHEBI:78831

> <NAME>
(2E,6R)-6-hydroxyhept-2-enoic acid

> <DEFINITION>
A hydroxy fatty acid that is trans-2-heptenoic acid in which the 6-pro-R hydrogen is replaced by a hydroxy group.

> <STAR>
3

> <FORMULA>
C7H12O3

> <MASS>
144.16840

> <MONOISOTOPIC_MASS>
144.07864

> <CHARGE>
0

> <SMILES>
C[C@@H](O)CC\C=C\C(O)=O

> <INCHI>
InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h3,5-6,8H,2,4H2,1H3,(H,9,10)/b5-3+/t6-/m1/s1

> <INCHIKEY>
GFPZLKGSTFJNHK-MXTDHUQFSA-N

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