LMFA01070052
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
    9.5611   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2932   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1591   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1591    0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0251   -1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6951   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8291   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0969   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5969   -4.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2309   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0969   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7668   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0992   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9653   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8313   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6973   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  4  6  1  0     0  0
  1  7  3  0     0  0
  7  8  1  0     0  0
  8  9  3  0     0  0
 10 11  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 10 16  1  0     0  0
 16 11  1  0     0  0
 16 12  1  6     0  0
 10  9  1  1     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  3  0     0  0
 20 21  1  0     0  0
M  END
> <LM_ID>
LMFA01070052

> <COMMON_NAME>
8R,9R-epoxy-octadec-4,6,16-triynoic acid

> <SYSTEMATIC_NAME>
8R,9R-epoxy-octadec-4,6,16-triynoic acid

> <FORMULA>
C18H22O3

> <MASS>
286.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Epoxy fatty acids [FA0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HUGLATTWEVDGTA-IAGOWNOFSA-N

> <INCHI>
InChI=1S/C18H22O3/c1-2-3-4-5-6-7-10-13-16-17(21-16)14-11-8-9-12-15-18(19)20/h16-17H,4-7,10,12-13,15H2,1H3,(H,19,20)/t16-,17-/m1/s1

> <SMILES>
C(#CC#C[C@@H]1[C@@H](CCCCCCC#CC)O1)CCC(O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:7;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
137323816

> <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>
300236

> <CITATION>
25193612

$$$$