LMFA01020345
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
    9.2985    5.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0097    5.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2985    6.8159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5822    5.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8655    5.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488    5.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4320    5.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7153    5.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2994    5.0000    0.0000 C   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 10  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020345

> <COMMON_NAME>
7:0(6Me,6Me)

> <SYSTEMATIC_NAME>
6,6-dimethyl-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>
AAOISIQFPPAFQO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179894

> <ABBREVIATION>
FA 9:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6453798

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1191330

> <CITATION>
12691847

$$$$