LMFA01020453
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   -0.4312   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4312   -0.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    0.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1691   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0382   -0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9073   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7765   -0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6456   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5147   -0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3839   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7765   -1.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0382   -1.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2482   -0.7520    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  8  2  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
  8 12  1  0  0  0  0
  6 13  1  0     0  0
 11 14  1  0     0  0
M  END
> <LM_ID>
LMFA01020453

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4,6-dimethyldeca-5E-enoic acid

> <FORMULA>
C12H22O2

> <MASS>
198.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YVLINXSOIKTHIB-MDZDMXLPSA-N

> <INCHI>
InChI=1S/C12H22O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)/b10-9+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 12:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
242058

> <CITATION>
39445221

$$$$