LMFA01020462
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0  0  0  0  0  0  0  0999 V2000
   15.1601   -7.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0221   -7.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1601   -6.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2918   -7.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4231   -7.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5546   -7.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6859   -7.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8172   -7.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9485   -7.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0799   -7.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2112   -7.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3425   -7.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4231   -6.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2112   -6.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4782   -7.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
  5 13  1  0     0  0
 11 14  1  0     0  0
 12 15  1  0     0  0
M  END
> <LM_ID>
LMFA01020462

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,9-dimethylundecanoic acid

> <FORMULA>
C13H26O2

> <MASS>
214.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CDMJWVYZDAJRMO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H26O2/c1-4-11(2)8-6-5-7-9-12(3)10-13(14)15/h11-12H,4-10H2,1-3H3,(H,14,15)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 13:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9685

> <CITATION>
42617604

$$$$