LMFA12000377
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   -0.4309   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309    0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1673   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0358   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9043   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7728   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6413   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5096   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3781   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2466   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1151   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9834   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4343   -0.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6413    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
  1 14  1  0     0  0
  8 15  1  0     0  0
M  END
> <LM_ID>
LMFA12000377

> <COMMON_NAME>
8-hydroxy-3E,5E,10E,12-tridecatetraen-2-one

> <SYSTEMATIC_NAME>
8-hydroxy-3E,5E,10E,12-tridecatetraen-2-one

> <FORMULA>
C13H18O2

> <MASS>
206.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WLKGLBGVBUEPDA-MRTDFIMESA-N

> <INCHI>
InChI=1S/C13H18O2/c1-3-4-6-10-13(15)11-8-5-7-9-12(2)14/h3-9,13,15H,1,10-11H2,2H3/b6-4+,8-5+,9-7+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119152

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1769485

> <CITATION>
32643425

$$$$