Ketcher 02071912112D 1   1.00000     0.00000     0

 25 24  0     0  0            999 V2000
   18.9020  -10.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9020   -9.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7681  -11.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7681   -9.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6337   -9.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0363  -11.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1705  -10.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0363   -9.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1705   -9.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3048  -11.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4390  -10.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3049   -9.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4392   -9.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5734  -11.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7078  -10.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5736   -9.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080   -9.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8421  -11.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9767  -10.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8424   -9.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9768   -9.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5024   -9.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5024   -8.4406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3705   -9.9365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6380  -10.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  4  1  0     0  0
  6  1  1  0     0  0
  7  6  1  0     0  0
  8  2  1  0     0  0
  9  8  1  0     0  0
 10  7  1  0     0  0
 11 10  1  0     0  0
 12  9  1  0     0  0
 13 12  1  0     0  0
 14 11  1  0     0  0
 15 14  1  0     0  0
 16 13  1  0     0  0
 17 16  1  0     0  0
 18 15  1  0     0  0
 19 18  2  0     0  0
 20 17  1  0     0  0
 21 19  1  0     0  0
 21 20  1  0     0  0
  5 22  1  0     0  0
 22 23  2  0     0  0
 22 24  1  0     0  0
  5 25  1  0     0  0
M  END
> <ID>
CHEBI:143027

> <NAME>
2-hydroxyerucic acid

> <DEFINITION>
A 2-hydroxy fatty acid that is erucic acid which is substituted by a hydroxy group at position 2.

> <STAR>
3

> <SYNONYM>
(13Z)-2-hydroxy-13-docosenoic acid

> <IUPAC_NAME>
(13Z)-2-hydroxydocos-13-enoic acid

> <FORMULA>
C22H42O3

> <MASS>
354.568

> <MONOISOTOPIC_MASS>
354.31340

> <CHARGE>
0

> <SMILES>
C(C)CCCCCC/C=C\CCCCCCCCCCC(C(=O)O)O

> <INCHI>
InChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h9-10,21,23H,2-8,11-20H2,1H3,(H,24,25)/b10-9-

> <INCHIKEY>
VZMAFALCHHMPNA-KTKRTIGZSA-N

> <PUBMED_CITATION>
16667981

$$$$