LMFA02000485
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  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
   -2.1680   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9053   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7740   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6427   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5114   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3800   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2487   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1174   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9861   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8547   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7234   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5922   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4609   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3296   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1983   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9861   -1.7419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8547    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6427    0.7511    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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  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  1  0  0  0  0
 14 21  1  6  0  0  0
 15 22  1  6  0  0  0
  9 23  2  0     0  0
M  END
> <LM_ID>
LMFA02000485

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
12S,13S-dihydroxy-7-oxo-octadeca-8E,10E-dienoic acid

> <FORMULA>
C18H30O5

> <MASS>
326.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HTOACTZIZAGPKM-SEIQTOGUSA-N

> <INCHI>
InChI=1S/C18H30O5/c1-2-3-5-12-16(20)17(21)13-9-8-11-15(19)10-6-4-7-14-18(22)23/h8-9,11,13,16-17,20-21H,2-7,10,12,14H2,1H3,(H,22,23)/b11-8+,13-9+/t16-,17-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
1069186

> <CITATION>
39754587

$$$$