LMFA02000152
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   14.7211    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8550    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5872    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4533    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3193    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1854    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0515    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9176    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7837    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6498    6.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7837    7.8609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9890    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2570    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8550    7.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5249    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7929    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9268    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  2  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  2 15  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000152

> <COMMON_NAME>
Dimorphecolic acid

> <SYSTEMATIC_NAME>
9-hydroxy-10E,12E-octadecadienoic acid

> <FORMULA>
C18H32O3

> <MASS>
296.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
9-hydroxy-trans-10,trans-12-octadecadienoic acid

> <INCHI_KEY>
NPDSHTNEKLQQIJ-SIGMCMEVSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+

> <SMILES>
C(CCCCCCC(=O)O)C(O)/C=C/C=C/CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0010223

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282945

> <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>
112408

> <CITATION>
-

$$$$