LMFA01050431
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   18.7777    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4973    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7777    6.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0529    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3278    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6026    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8774    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1522    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4271    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7020    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9768    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5265    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8013    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0761    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3509    5.6629    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6259    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9007    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1755    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4503    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7252    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3509    6.4938    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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050431

> <COMMON_NAME>
Auricolic acid

> <SYSTEMATIC_NAME>
14-hydroxy-11Z,17Z-eicosadienoic acid

> <FORMULA>
C20H36O3

> <MASS>
324.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GWEIHUNYMRRZJJ-MOAWTDCJSA-N

> <INCHI>
InChI=1S/C20H36O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h3-4,11,14,19,21H,2,5-10,12-13,15-18H2,1H3,(H,22,23)/b4-3-,14-11-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186663

> <ABBREVIATION>
FA 20:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73242169

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$