LMFA02000284
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   17.3385    6.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0587    6.0791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3385    7.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6131    6.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8872    6.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1614    6.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4356    6.4949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7098    6.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9839    6.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2582    6.0791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5324    6.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8065    6.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0807    6.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3549    6.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6290    6.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9032    6.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1775    6.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4517    6.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7258    6.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4356    7.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2582    5.2475    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  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  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
  7 21  1  1  0  0  0
 10 22  1  1  0  0  0
M  END
> <LM_ID>
LMFA02000284

> <COMMON_NAME>
5S,8R-DiHODE

> <SYSTEMATIC_NAME>
5S,8R-dihydroxy-9Z,12Z-octadecadienoic acid

> <FORMULA>
C18H32O4

> <MASS>
312.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CVXOCQUHJDKXHR-JFKQHRMJSA-N

> <INCHI>
InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/b7-6-,11-9-/t16-,17-/m0/s1

> <SMILES>
C(CCC[C@H](O)CC[C@@H](O)/C=C\C/C=C\CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
63216

> <ABBREVIATION>
FA 18:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25755602

> <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>
32630

> <CITATION>
21852690

$$$$