LMFA01020087
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    6.4288    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    6.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020087

> <COMMON_NAME>
alpha-ethyl caproic acid

> <SYSTEMATIC_NAME>
2-ethyl-hexanoic acid

> <FORMULA>
C8H16O2

> <MASS>
144.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-ethyl-hexoic acid

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031230

> <YMDB_ID>
-

> <CHEBI_ID>
89058

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
8697

> <LIPIDBANK_ID>
DFA7055

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA01020087

$$$$