LMFA02000079
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   17.1796    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8906    6.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1796    7.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4635    6.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7470    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0306    6.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3141    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5976    6.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8811    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1647    6.4812    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4482    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7318    6.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0153    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2988    6.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8658    6.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1494    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330    6.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7165    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1647    5.6603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797    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  2  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  1  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  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
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000079

> <COMMON_NAME>
8-HpOME(6E)

> <SYSTEMATIC_NAME>
8-hydroperoxy-6E-octadecenoic acid

> <FORMULA>
C18H34O4

> <MASS>
314.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-HpOME

> <INCHI_KEY>
UAXVXLDKRQZQES-NTCAYCPXSA-N

> <INCHI>
InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+

> <SMILES>
C(CCCC/C=C/C(OO)CCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935855

> <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>
-

$$$$