44256502
  CDK     0601212310

 21 20  0  0  0  0  0  0  0  0999 V2000
    2.8075   -1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    2.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    2.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    2.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    2.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  2 21  1  0  0  0  0 
  3 21  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  1  0  0  0  0 
 12 15  2  0  0  0  0 
 13 21  1  0  0  0  0 
 14 18  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 19  1  0  0  0  0 
 17 18  1  0  0  0  0 
 17 20  1  0  0  0  0 
 19 20  2  0  0  0  0 
M  END
> <ID>
CHEBI:173125

> <NAME>
17-hydroxy-linolenic acid

> <STAR>
2

> <IUPAC_NAME>
(6Z,9Z,12Z)-17-hydroxyoctadeca-6,9,12-trienoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.435

> <MONOISOTOPIC_MASS>
294.21949

> <CHARGE>
0

> <SMILES>
OC(CCC/C=C\C/C=C\C/C=C\CCCCC(O)=O)C

> <INCHI>
InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,6-9,17,19H,4-5,10-16H2,1H3,(H,20,21)/b3-2-,8-6-,9-7-

> <INCHIKEY>
NUDXOGPEQRPSKT-MVOZTAHOSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA02000239

$$$$