LMFA01020461
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
   15.5946   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4566   -1.0148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5946    0.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7263   -1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8576   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9890   -1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2516   -1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3829   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5143   -1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6456   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769   -1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7264   -2.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8604   -2.5149    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  2  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
  4 13  1  0     0  0
 13 14  1  0     0  0
M  END
> <LM_ID>
LMFA01020461

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2-ethyl-dec-2E-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>
CKBANSOBPOXHMV-ZHACJKMWSA-N

> <INCHI>
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11(4-2)12(13)14/h10H,3-9H2,1-2H3,(H,13,14)/b11-10+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 12:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
17781888

> <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>
9685

> <CITATION>
42617604

$$$$