LMFA01030471
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
   13.0032    6.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7251    5.8337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0032    6.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2759    5.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5483    6.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8207    5.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0931    6.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3655    5.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6380    6.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9104    5.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1828    5.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4552    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7276    5.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   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  3  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
M  END
> <LM_ID>
LMFA01030471

> <COMMON_NAME>
8-dodecynoic acid

> <SYSTEMATIC_NAME>
8-dodecynoic acid

> <FORMULA>
C12H20O2

> <MASS>
196.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-Dodecynoic acid

> <INCHI_KEY>
SGUNFKQJWPYUMV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-3,6-11H2,1H3,(H,13,14)

> <SMILES>
C(CCCCCCC#CCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195917

> <ABBREVIATION>
FA 12:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312611

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$