LMFA07010417
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    8.7652    9.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7652    8.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917    7.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917    6.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7910    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8900    6.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    7.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9621    8.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7758    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
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010417

> <COMMON_NAME>
propionyl butyrate

> <SYSTEMATIC_NAME>
Propyl butyrate

> <FORMULA>
C7H14O2

> <MASS>
130.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(3:0/4:0)

> <INCHI_KEY>
HUAZGNHGCJGYNP-UHFFFAOYSA-N

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

> <SMILES>
O=C(CCC)OCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0039618

> <CHEBI_ID>
89719

> <ABBREVIATION>
SFE 7:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7770

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3750

> <CITATION>
-

$$$$