LMFA07010512
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0  0  0  0  0  0  0  0999 V2000
    9.3386    7.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3386    6.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0047    6.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0047    5.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3594    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6333    5.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9066    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1800    5.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4533    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7267    5.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6121    6.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8854    6.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1588    6.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8854    7.6424    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
  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010512

> <COMMON_NAME>
octyl 3-methyl-butanoate

> <SYSTEMATIC_NAME>
octyl 3-methyl-butanoate

> <FORMULA>
C13H26O2

> <MASS>
214.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:0/4:0(3Me))

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034140

> <YMDB_ID>
-

> <CHEBI_ID>
180099

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
228769

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA07010512

$$$$