LMFA01070028
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  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   -0.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    0.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3078   -0.7513    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   -0.7513    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
   -4.8052   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6796   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5540   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4283   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3027   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1771   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0514   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9258    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8002    0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6745    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5489    0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4233    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2976    0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8027    0.6155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  3  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 12 21  1  0     0  0
 21 11  1  0     0  0
M  END
> <LM_ID>
LMFA01070028

> <COMMON_NAME>
9,10-Epoxy-12-octadecynoic acid

> <SYSTEMATIC_NAME>
9,10-Epoxy-octadec-12-ynoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Epoxy fatty acids [FA0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-(2-Octynyl)-oxiraneoctanoic acid

> <INCHI_KEY>
WBLXRDBPMRYRBK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)

> <SMILES>
C(CCCCCCCC1OC1CC#CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
129681591

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; 

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$