LMFA01020242
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    9.5484    6.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3006    5.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5484    6.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7906    5.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0325    6.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    5.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5162    6.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7581    5.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7581    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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
  8 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020242

> <COMMON_NAME>
Isocaprylic acid

> <SYSTEMATIC_NAME>
6-methyl-heptanoic 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>


> <INCHI_KEY>
OEOIWYCWCDBOPA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031588

> <CHEBI_ID>
179945

> <ABBREVIATION>
FA 8:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
90716

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$