LMFA02000286
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   17.2568    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9723    6.6611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2568    7.9004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5362    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8152    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0941    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3731    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6521    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9311    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2101    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4891    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7681    6.6611    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0471    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3260    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6050    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8840    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1631    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4420    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7210    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7681    5.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3557    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  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  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
 12 21  1  1  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000286

> <COMMON_NAME>
10S-HpODE

> <SYSTEMATIC_NAME>
10S-hydroperoxy-8E,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>
YONQBPOWOZLKHS-NDTUJAEZSA-N

> <INCHI>
InChI=1S/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+/t17-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
75833

> <ABBREVIATION>
FA 18:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935875

> <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>
32630

> <CITATION>
21852690

$$$$