LMFA07010729
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0            999 V2000
   -1.4440    1.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440    0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0864    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0864   -0.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440   -0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440   -1.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014   -0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643   -0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0864   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220    0.4016    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
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  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
M  END
> <LM_ID>
LMFA07010729

> <COMMON_NAME>
2-Methylpropyl hexanoate

> <SYSTEMATIC_NAME>
2-methylpropyl hexanoate

> <FORMULA>
C10H20O2

> <MASS>
172.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UXUPPWPIGVTVQI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3

> <SMILES>
CC(C)COC(CCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0036228

> <CHEBI_ID>
87421

> <ABBREVIATION>
WE 10:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7775

> <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>
-

$$$$