LMFA02000068
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   17.1795    5.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8904    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1795    6.4789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4634    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7469    5.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0304    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3140    5.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5975    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8810    5.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1646    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4482    5.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7317    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0152    5.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2987    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    5.6579    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8658    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1494    5.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7165    5.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    6.4789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2973    6.8917    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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  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
 15 21  1  1  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000068

> <COMMON_NAME>
13R-HpOME(11E)

> <SYSTEMATIC_NAME>
13R-hydroperoxy-11E-octadecenoic acid

> <FORMULA>
C18H34O4

> <MASS>
314.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
13R-HpOME

> <INCHI_KEY>
IJZHVZJCTHEXLZ-OKACTXMXSA-N

> <INCHI>
InChI=1S/C18H34O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+/t17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185632

> <ABBREVIATION>
FA 18:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
446303

> <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

$$$$