Ketcher 05051510252D 1   1.00000     0.00000     0

 21 20  0     0  0            999 V2000
    7.1001   -2.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2339   -3.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0284   -2.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1624   -3.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0284   -1.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2963   -2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4300   -3.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5642   -2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6981   -3.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8321   -2.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9661   -3.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8943   -3.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2339   -4.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999   -4.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9661   -4.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8321   -4.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6981   -4.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5642   -4.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4300   -4.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2963   -4.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999   -5.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0     0  0
  1  2  2  0     0  0
 13  2  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  3 12  1  0     0  0
  4  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 14 13  1  0     0  0
 15 14  1  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 18 17  1  0     0  0
 19 18  1  0     0  0
 20 19  1  0     0  0
 14 21  1  0     0  0
M  END
> <ID>
CHEBI:85639

> <NAME>
(9Z)-12-hydroxyoctadec-9-enoic acid

> <DEFINITION>
A hydroxy fatty acid that is (9Z)-octadec-9-enoic (oleic) acid carrying a hydroxy substituent at position 12.

> <STAR>
3

> <SYNONYM>
12-hydroxyoleic acid

> <IUPAC_NAME>
(9Z)-12-hydroxyoctadec-9-enoic acid

> <FORMULA>
C18H34O3

> <MASS>
298.46080

> <MONOISOTOPIC_MASS>
298.25079

> <CHARGE>
0

> <SMILES>
CCCCCCC(O)C\C=C/CCCCCCCC(O)=O

> <INCHI>
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-

> <INCHIKEY>
WBHHMMIMDMUBKC-XFXZXTDPSA-N

> <REAXYS_REGISTRY_NUMBER>
1727813

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