LMFA07010676
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
    8.5719    7.5929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    6.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2267    6.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8576    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1432    6.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7143    6.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5124    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2267    5.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9444    5.0564    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 10  1  0  0  0  0
  2  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
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010676

> <COMMON_NAME>
Isopropyl hexanoate

> <SYSTEMATIC_NAME>
Isopropyl hexanoate

> <FORMULA>
C9H18O2

> <MASS>
158.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(2:0(1Me)/6:0)

> <INCHI_KEY>
JSHDAORXSNJOBA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3

> <SMILES>
O=C(CCCCC)OC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040430

> <CHEBI_ID>
179876

> <ABBREVIATION>
SFE 9:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16832

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$