LMFA03050041
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   -0.4358   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358   -0.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4358    0.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1924   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9494   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8279   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7064   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5848   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4633   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3418   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2203   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0988   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9773   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8557   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7342   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6127   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4912   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3697   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2482   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1266   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5848    0.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4633   -1.7615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0988    0.7549    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  2  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  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  2  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA03050041

> <COMMON_NAME>
8,9,12-THETA

> <SYSTEMATIC_NAME>
8,9,12-trihydroxyeicosa-5Z,10E,14Z-trienoic acid

> <FORMULA>
C20H34O5

> <MASS>
354.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CTERNDJLXAUIKY-RQWPTSCGSA-N

> <INCHI>
InChI=1S/C20H34O5/c1-2-3-4-5-6-9-12-17(21)15-16-19(23)18(22)13-10-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-6-,10-7-,16-15+

> <SMILES>
C(CCC/C=C\CC(O)C(O)/C=C/C(O)C/C=C\CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328125

> <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>
9606

> <CITATION>
725088

$$$$