LMFA01020148
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.0000    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
    8.5725    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.2374    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
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020148

> <COMMON_NAME>
5-methyl-heptanoic acid

> <SYSTEMATIC_NAME>
5-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>
OJTHHBCWUMTZEY-UHFFFAOYSA-N

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

> <SMILES>
CCC(C)CCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179956

> <ABBREVIATION>
FA 8:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
112481

> <LIPIDBANK_ID>
DFA7116

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$