LMFA07010595
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
   10.4352    9.1842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4352    8.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2242    7.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2242    6.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5747    7.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7141    8.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8536    7.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3637    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031    6.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6425    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819    6.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9213    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.5918    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
  4  8  1  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
 12 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010595

> <COMMON_NAME>
SFE 7:0/4:0

> <SYSTEMATIC_NAME>
Heptyl butyrate

> <FORMULA>
C11H22O2

> <MASS>
186.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(7:0/4:0)

> <INCHI_KEY>
JPQHLIYIQARLQM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3

> <SMILES>
O=C(CCC)OCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034460

> <CHEBI_ID>
179373

> <ABBREVIATION>
SFE 11:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
62592

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$