LMFA02000033
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   17.7418    6.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4855    5.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7418    6.9761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9926    5.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2431    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4935    5.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7440    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9944    5.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2449    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4954    5.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7458    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9963    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2468    5.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4972    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7477    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9981    5.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2486    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4991    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7495    5.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9926    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  4 21  1  6  0  0  0
M  END
> <LM_ID>
LMFA02000033

> <COMMON_NAME>
2R-HOTrE

> <SYSTEMATIC_NAME>
2R-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>


> <INCHI_KEY>
JQXGCBKGIBTCHY-KITAFTRQSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-/t17-/m1/s1

> <SMILES>
C([C@H](O)CCCCCC/C=C\C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
C16342

> <HMDB_ID>
-

> <CHEBI_ID>
76234

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061058

> <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>
-

> <CITATION>
-

$$$$