LMFA07010945
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0     0  0            999 V2000
   -0.4375   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.7578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.7578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190   -0.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2009   -0.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0827   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9646   -0.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8464   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7283   -0.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6102   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3035   -0.2577    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
  2 11  1  0     0  0
M  END
> <LM_ID>
LMFA07010945

> <COMMON_NAME>
Methyl 2-octynoate

> <SYSTEMATIC_NAME>
methyl oct-2-ynoate

> <FORMULA>
C9H14O2

> <MASS>
154.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
methyl heptine carbonate

> <INCHI_KEY>
FRLZQXRXIKQFNS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031302

> <CHEBI_ID>
168485

> <ABBREVIATION>
SFE 9:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
8092

> <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>
-

$$$$