LMFA07010879
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
   -0.4310   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -0.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1682   -1.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369   -1.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9057   -1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7744   -1.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6432   -1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5120   -1.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3807   -1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858   -0.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626   -0.6833    0.0000 C   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  3  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
  2 12  1  0     0  0
 12 13  1  0     0  0
M  END
> <LM_ID>
LMFA07010879

> <COMMON_NAME>
Ethyl octynecarboxylate

> <SYSTEMATIC_NAME>
ethyl non-2-ynoate

> <FORMULA>
C11H18O2

> <MASS>
182.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BFZNMUGAZYAMTG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3

> <SMILES>
C(C#CCCCCCC)(=O)OCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0036215

> <CHEBI_ID>
185864

> <ABBREVIATION>
SFE 11:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61451

> <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>
-

$$$$