LMFA01050595
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   -0.4310   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9052   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7739   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6424   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5109   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3796   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2483   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7739   -1.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1126   -0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9804   -0.7406    0.0000 C   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
  8 13  1  1     0  0
 12 14  1  0     0  0
 14 15  1  0     0  0
M  END
> <LM_ID>
LMFA01050595

> <COMMON_NAME>
Lycocasuarinen acid B

> <SYSTEMATIC_NAME>
6S-hydroxy-2E,4E-dodecadienoic acid

> <FORMULA>
C12H20O3

> <MASS>
212.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RJYXYKQBJQBREY-PLZNCBDESA-N

> <INCHI>
InChI=1S/C12H20O3/c1-2-3-4-5-8-11(13)9-6-7-10-12(14)15/h6-7,9-11,13H,2-5,8H2,1H3,(H,14,15)/b9-6+,10-7+/t11-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 12:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120475

> <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>
73626

> <CITATION>
-

$$$$