LMFA01060233
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
   -0.4310   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1682   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0370   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9057   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6433   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5120   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3808   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5120   -1.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9057    0.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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
 10 12  1  0     0  0
  7 13  2  0     0  0
M  END
> <LM_ID>
LMFA01060233

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5-oxo-8-methy-nonanoic 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>
CVTYGALEXWGUJW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H18O3/c1-8(2)6-7-9(11)4-3-5-10(12)13/h8H,3-7H2,1-2H3,(H,12,13)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 10:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
132543963

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
105426

> <CITATION>
31887193

$$$$