LMFA01060007
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.7144    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    5.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    7.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.0000    0.0000 O   0  0  0  0  0  0  0  0  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
  5  7  2  0  0  0  0
  2  1  1  0  0  0  0
  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060007

> <COMMON_NAME>
2-keto-n-caproic acid

> <SYSTEMATIC_NAME>
2-oxo-hexanoic acid

> <FORMULA>
C6H10O3

> <MASS>
130.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XNIHZNNZJHYHLC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)

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

> <KEGG_ID>
C00902

> <HMDB_ID>
HMDB0001864

> <CHEBI_ID>
17308

> <ABBREVIATION>
FA 6:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
159664

> <LIPIDBANK_ID>
DFA0391

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$