LMFA01170016
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0  0  0  0  0999 V2000
   14.7618    5.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5069    5.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7618    6.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0112    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2603    5.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5094    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7584    5.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0075    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2565    5.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5056    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7547    5.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0037    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2528    5.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5019    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7509    5.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2603    6.0430    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
    5.7509    6.0430    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
  5 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170016

> <COMMON_NAME>
3-methyl-tridecanedioic acid

> <SYSTEMATIC_NAME>
3-methyl-tridecanedioic acid

> <FORMULA>
C14H26O4

> <MASS>
258.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XGGBLUZXXAOZCR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H26O4/c1-12(11-14(17)18)9-7-5-3-2-4-6-8-10-13(15)16/h12H,2-11H2,1H3,(H,15,16)(H,17,18)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178381

> <ABBREVIATION>
FA 14:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9543659

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$