LMFA02000480
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -0.4395   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4395   -0.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4395    0.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3249   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2108   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9825   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8683   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7541   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6400   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5258   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4117   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2975   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1833   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0692   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9550   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8409   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7267   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6125   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4984   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3842   -0.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000480

> <COMMON_NAME>
18-HOTrE

> <SYSTEMATIC_NAME>
18-hydroxy-9Z,12Z,15Z-octadecatrienoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
18-hydroxylinolenic acid

> <INCHI_KEY>
MYHBSGIXHQNKKA-QBSQDQRFSA-N

> <INCHI>
InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7,11,13,19H,3-4,6,8-10,12,14-17H2,(H,20,21)/b2-1-,7-5-,13-11-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87227113

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$