LMFA07010908
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0            999 V2000
    2.1569    2.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4368    2.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216    1.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7291    2.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0075    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988    2.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0061    1.2258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277    0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1569   -1.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1569   -2.4737    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  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010908

> <COMMON_NAME>
Hexyl 3-methylbutanoate

> <SYSTEMATIC_NAME>
hexyl 3-methylbutanoate

> <FORMULA>
C11H22O2

> <MASS>
186.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB0032044

> <YMDB_ID>
-

> <CHEBI_ID>
179380

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61455

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA07010908

$$$$