LMFA07010961
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
    0.7121   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371   -1.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    0.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371    1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7121   -0.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7121   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621   -1.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <LM_ID>
LMFA07010961

> <COMMON_NAME>
Methyl heptanoate

> <SYSTEMATIC_NAME>
methyl heptanoate

> <FORMULA>
C8H16O2

> <MASS>
144.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XNCNNDVCAUWAIT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3

> <SMILES>
COC(=O)CCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031478

> <CHEBI_ID>
88620

> <ABBREVIATION>
SFE 8:0

> <CAYMAN_ID>
33673

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7826

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$