LMFA07010920
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
   -1.0719    1.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    1.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -0.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719   -0.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -1.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0719   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010920

> <COMMON_NAME>
Isopropyl 2-methylbutanoate

> <SYSTEMATIC_NAME>
propan-2-yl 2-methylbutanoate

> <FORMULA>
C8H16O2

> <MASS>
144.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DIRDKDDFAMNBNY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0039217

> <CHEBI_ID>
179936

> <ABBREVIATION>
WE 8:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
522214

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$