LMFA07010412
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0     0  0            999 V2000
    7.8756    9.1025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8756    8.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7076    7.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7076    6.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9016    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9947    6.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9682    7.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.3209    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  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010412

> <COMMON_NAME>
SFE 3:0/3:0

> <SYSTEMATIC_NAME>
propyl propionate

> <FORMULA>
C6H12O2

> <MASS>
116.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(3:0/3:0)

> <INCHI_KEY>
MCSINKKTEDDPNK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3

> <SMILES>
O=C(CC)OCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030059

> <CHEBI_ID>
89828

> <ABBREVIATION>
SFE 6:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7803

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$