LMFA01010008
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    6.2374    0.0000 O   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
  9  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
> <LM_ID>
LMFA01010008

> <COMMON_NAME>
Caprylic acid

> <SYSTEMATIC_NAME>
octanoic acid

> <FORMULA>
C8H16O2

> <MASS>
144.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Straight chain fatty acids [FA0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Octylic acid; C8:0

> <INCHI_KEY>
WWZKQHOCKIZLMA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)

> <SMILES>
CCCCCCCC(=O)O

> <KEGG_ID>
C06423

> <HMDB_ID>
HMDB0000482

> <CHEBI_ID>
28837

> <ABBREVIATION>
FA 8:0

> <CAYMAN_ID>
33674

> <SWISSLIPIDS_ID>
SLM:000000853

> <PUBCHEM_COMPOUND_ID>
379

> <LIPIDBANK_ID>
DFA0008

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$