LMFA01060036
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
    9.2865    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7156    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4301    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8592    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5721    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2865    6.2375    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060036

> <COMMON_NAME>
4-heptanoyl butyric acid

> <SYSTEMATIC_NAME>
5-oxo-undecanoic acid

> <FORMULA>
C11H20O3

> <MASS>
200.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LXPXOCHGDNNXCA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H20O3/c1-2-3-4-5-7-10(12)8-6-9-11(13)14/h2-9H2,1H3,(H,13,14)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180331

> <ABBREVIATION>
FA 11:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4667416

> <LIPIDBANK_ID>
DFA0420

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$