Ketcher 07122316202D 1   1.00000     0.00000     0

 21 20  0     0  0            999 V2000
    6.3300   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6602   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3300   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2582   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0     0  0
  2 20  1  0     0  0
  3 20  2  0     0  0
  4  5  1  0     0  0
  4  6  1  0     0  0
  5  7  1  0     0  0
  6  8  1  0     0  0
  7  9  1  0     0  0
  8 10  1  0     0  0
  9 11  1  0     0  0
 10 12  1  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 13 18  2  0     0  0
 14 20  1  0     0  0
 15 16  1  0     0  0
 15 17  1  0     0  0
 16 18  1  0     0  0
 17 19  1  0     0  0
 19 21  1  0     0  0
M  CHG  1   2  -1
M  END
> <ID>
CHEBI:195300

> <NAME>
(12Z)-10-hydroxyoctadec-12-enoate

> <DEFINITION>
A hydroxy monounsaturated fatty acid anion that is the conjugate base of (12Z)-10-hydroxyoctadec-12-enoic acid, resulting from the deprotonation of the carboxy group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
10-hydroxy-cis-12-octadecenoate; 10-hydroxy-12(Z)-octadecenoate; 10-HOE(1-); (12Z)-10-hydroxyoctadecenoate; (12Z)-10-hydroxyoctadecenoate; (12Z)-10-hydroxyoctadec-12-enoic acid anion

> <IUPAC_NAME>
(12Z)-10-hydroxyoctadec-12-enoate

> <FORMULA>
C18H33O3

> <MASS>
297.460

> <MONOISOTOPIC_MASS>
297.24352

> <CHARGE>
-1

> <SMILES>
CCCCC\C=C/CC(O)CCCCCCCCC([O-])=O

> <INCHI>
InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11,17,19H,2-7,9-10,12-16H2,1H3,(H,20,21)/p-1/b11-8-

> <INCHIKEY>
WVYIZGMCLSGZGG-FLIBITNWSA-M

> <PUBMED_CITATION>
20145247

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