LMFA01060001
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
   12.2084    5.7495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4875    6.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4875    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7668    5.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0459    6.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3251    5.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6043    6.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833    5.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625    6.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417    5.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208    6.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7668    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  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
  4 13  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060001

> <COMMON_NAME>
2-oxo capric acid

> <SYSTEMATIC_NAME>
2-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>
JBFDBSZCFDASAE-UHFFFAOYSA-N

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

> <SMILES>
OC(C(=O)CCCCCCCC)=O

> <KEGG_ID>
C13945

> <HMDB_ID>
-

> <CHEBI_ID>
34301

> <ABBREVIATION>
FA 10:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
259794

> <LIPIDBANK_ID>
DFA0411

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$