LMFA03050006
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
    6.7277    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2349    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2491    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2491    8.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2349    8.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1281    7.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1281    6.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0037    8.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0037    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179    8.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8953    6.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7727    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500    6.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5272    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8953    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7727    8.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5272    8.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3666    6.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3973    7.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5272    8.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7514    8.9869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.9869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  4  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 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
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
M  END
> <LM_ID>
LMFA03050006

> <COMMON_NAME>
(+/-)8,9-DiHETrE

> <SYSTEMATIC_NAME>
8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid

> <FORMULA>
C20H34O4

> <MASS>
338.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(+/-)8(9)-DiHET

> <INCHI_KEY>
DCJBINATHQHPKO-TYAUOURKSA-N

> <INCHI>
InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-

> <SMILES>
C(C(O)C(O)C/C=C\CCCC(=O)O)/C=C\C/C=C\CCCCC

> <KEGG_ID>
C14773

> <HMDB_ID>
HMDB0002311

> <CHEBI_ID>
63970

> <ABBREVIATION>
FA 20:3;O2

> <CAYMAN_ID>
51351

> <SWISSLIPIDS_ID>
SLM:000501367

> <PUBCHEM_COMPOUND_ID>
5283144

> <LIPIDBANK_ID>
DFA8107

> <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>
20671299

$$$$