LMFA01010006
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  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
    9.2869    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.2375    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
  6  8  2  0  0  0  0
M  END
> <LM_ID>
LMFA01010006

> <COMMON_NAME>
Caproic acid

> <SYSTEMATIC_NAME>
Hexanoic acid

> <FORMULA>
C6H12O2

> <MASS>
116.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Straight chain fatty acids [FA0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Capronic acid; C6:0; Butylacetic acid; Pentylformic acid

> <INCHI_KEY>
FUZZWVXGSFPDMH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)

> <SMILES>
CCCCCC(=O)O

> <KEGG_ID>
C01585

> <HMDB_ID>
HMDB0000535

> <CHEBI_ID>
30776

> <ABBREVIATION>
FA 6:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000001196

> <PUBCHEM_COMPOUND_ID>
8892

> <LIPIDBANK_ID>
DFA0006

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$