LMFA07010433
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0     0  0            999 V2000
   10.5484    8.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5484    7.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3712    7.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3712    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6511    7.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7535    7.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    7.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9583    7.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.1770    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
  2  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
M  END
> <LM_ID>
LMFA07010433

> <COMMON_NAME>
SFE 1:0/6:0

> <SYSTEMATIC_NAME>
Methyl hexanoate

> <FORMULA>
C7H14O2

> <MASS>
130.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(1:0/6:0)

> <INCHI_KEY>
NUKZAGXMHTUAFE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

> <SMILES>
O=C(CCCCC)OC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0035238

> <CHEBI_ID>
77322

> <ABBREVIATION>
SFE 7:0

> <CAYMAN_ID>
33675

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7824

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7244

> <CITATION>
24310382

$$$$