LMFA01060031
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
    8.5721    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1449    5.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    7.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.2374    0.0000 C   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
    7.8577    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
  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
  8 13  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060031

> <COMMON_NAME>
6-oxo capric acid

> <SYSTEMATIC_NAME>
6-oxo-decanoic acid

> <FORMULA>
C10H18O3

> <MASS>
186.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HWBQEMISDOEBJH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H18O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h2-8H2,1H3,(H,12,13)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180134

> <ABBREVIATION>
FA 10:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282983

> <LIPIDBANK_ID>
DFA0415

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$