LMFA01030226
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   15.8623    6.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7466    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8623    7.6888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9717    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0805    6.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1894    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2983    6.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4072    6.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5161    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250    6.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8427    6.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9517    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8712    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  2  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
M  END
> <LM_ID>
LMFA01030226

> <COMMON_NAME>
Lauroleinic acid

> <SYSTEMATIC_NAME>
5Z-dodecenoic acid

> <FORMULA>
C12H22O2

> <MASS>
198.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C12:1n-7; Denticetic acid

> <INCHI_KEY>
IJBFSOLHRKELLR-FPLPWBNLSA-N

> <INCHI>
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000529

> <CHEBI_ID>
86595

> <ABBREVIATION>
FA 12:1

> <CAYMAN_ID>
35910

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312378

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606; 1502188

> <CITATION>
32598404

$$$$