LMFA07010519
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0     0  0            999 V2000
   11.4095    9.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4095    8.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2267    7.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2267    6.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4350    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5441    6.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5181    7.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6266    7.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7351    6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8435    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520    6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  3  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
M  END
> <LM_ID>
LMFA07010519

> <COMMON_NAME>
propyl 2-heptynoate

> <SYSTEMATIC_NAME>
propyl 2-heptynoate

> <FORMULA>
C10H16O2

> <MASS>
168.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(3:0/7:1(2Y))

> <INCHI_KEY>
ZRBPUEOLDSVZMI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H16O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-6,9H2,1-2H3

> <SMILES>
O=C(C#CCCCC)OCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195797

> <ABBREVIATION>
SFE 10:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
249200

> <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>
-

$$$$