LMFA01170014
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0  0  0  0  0  0  0  0999 V2000
   14.6071    5.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3404    5.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6071    6.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8684    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1294    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3903    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6513    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1732    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4342    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6952    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9561    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2171    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4781    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7390    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7390    6.0264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  1  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170014

> <COMMON_NAME>
Brassylic acid

> <SYSTEMATIC_NAME>
Tridecanedioic acid

> <FORMULA>
C13H24O4

> <MASS>
244.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DXNCZXXFRKPEPY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0002327

> <CHEBI_ID>
73718

> <ABBREVIATION>
FA 13:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10458

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$