LMFA02000113
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   18.0817    6.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3672    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6527    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9383    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2238    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5093    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3672    7.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7948    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0804    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3659    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6514    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8264    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3974    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3659    5.6599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0803    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 10 21  1  1  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000113

> <COMMON_NAME>
8R-HpODE

> <SYSTEMATIC_NAME>
8R-hydroperoxy-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>
(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid

> <INCHI_KEY>
RGJSGXNKRWWCOQ-QMEIEYGNSA-N

> <INCHI>
InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6-,14-11-/t17-/m0/s1

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

> <KEGG_ID>
C14831

> <HMDB_ID>
HMDB0004706

> <CHEBI_ID>
34485

> <ABBREVIATION>
FA 18:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6438758

> <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>
-

> <CITATION>
-

$$$$