LMFA02000471
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -0.4367   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4367   -0.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367    0.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0767   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8371   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7172   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5974   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4775   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3577   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2378   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1180   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9981   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8783   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7584   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6386   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5187   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3989   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1180    0.7563    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  1  0  0  0  0
 15 16  2  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
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000471

> <COMMON_NAME>
12-HOTrE

> <SYSTEMATIC_NAME>
12-hydroxy-9Z,13E,15Z-octadecatrienoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WOZLPPGKSWZLBI-YMVUBCEOSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,11-12,14,17,19H,2,5-8,10,13,15-16H2,1H3,(H,20,21)/b4-3-,12-9-,14-11+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23815432

> <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>
-

$$$$