LMFA01030892
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   16.5813    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4513    6.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5813    7.8676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7049    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8282    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9515    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0747    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1979    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3212    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4445    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5678    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6911    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8142    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.3608    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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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
M  END
> <LM_ID>
LMFA01030892

> <COMMON_NAME>
13:1(8)

> <SYSTEMATIC_NAME>
8Z-tridecenoic acid

> <FORMULA>
C13H24O2

> <MASS>
212.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C13:1n-5

> <INCHI_KEY>
DEBUFGLKBHVYMK-WAYWQWQTSA-N

> <INCHI>
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h5-6H,2-4,7-12H2,1H3,(H,14,15)/b6-5-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 13:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921847

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
83851

> <CITATION>
12691847

$$$$