LMFA01020153
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
    5.7144    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1269    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3019    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020153

> <COMMON_NAME>
3,5,5-trimethyl-hexanoic acid

> <SYSTEMATIC_NAME>
3,5,5-trimethyl-hexanoic acid

> <FORMULA>
C9H18O2

> <MASS>
158.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OILUAKBAMVLXGF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179890

> <ABBREVIATION>
FA 9:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
90960

> <LIPIDBANK_ID>
DFA7121

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$