Mrv0541 06121415072D          

 12 11  0  0  1  0            999 V2000
   12.0171  -18.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7305  -16.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7305  -17.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0160  -15.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0160  -17.5486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3015  -16.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3015  -17.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4450  -15.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1594  -16.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8739  -15.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5883  -16.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8739  -15.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  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
  5  1  1  1  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <ID>
CHEBI:78819

> <NAME>
(2E,8R)-8-hydroxynon-2-enoic acid

> <DEFINITION>
An (ω−1)-hydroxy fatty acid that is (2E)-non-2-enoic acid in which the hydrogen at the 8 pro-R position is replaced by a hydroxy group.

> <STAR>
3

> <IUPAC_NAME>
(2E,8R)-8-hydroxynon-2-enoic acid

> <FORMULA>
C9H16O3

> <MASS>
172.22150

> <MONOISOTOPIC_MASS>
172.10994

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H16O3/c1-8(10)6-4-2-3-5-7-9(11)12/h5,7-8,10H,2-4,6H2,1H3,(H,11,12)/b7-5+/t8-/m1/s1

> <INCHIKEY>
GZPWMQSUISJIIL-WVXIBAHESA-N

$$$$