LMFA02000385
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
   -0.4338   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4338   -0.7514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    0.7514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3078   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1822   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0565   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9309   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8053   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6797   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5540   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4284   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3028   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1771   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0515   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9259   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8003   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6746   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5490   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4234   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2977   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1771    0.7495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4887   -1.5086    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  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
 13 21  1  0     0  0
 15 22  1  0     0  0
 14 22  1  0     0  0
M  END
> <LM_ID>
LMFA02000385

> <COMMON_NAME>
Turneroic acid

> <SYSTEMATIC_NAME>
11-hydroxy-12,13-epoxy-octadecanoic acid

> <FORMULA>
C18H34O4

> <MASS>
314.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BTMXTMNQUDQPJN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H34O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h15-16,18-19H,2-14H2,1H3,(H,20,21)

> <SMILES>
C(CCCCCCCCCC(O)C1OC1CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121340

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2426

> <CITATION>
33419303

$$$$