LMFA01060167
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   16.2914    6.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1932    6.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2914    7.7151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3831    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4741    6.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5653    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6564    6.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7475    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8387    6.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9299    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0209    6.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1121    6.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2944    6.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2944    7.6223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  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  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
M  END
> <LM_ID>
LMFA01060167

> <COMMON_NAME>
9Z-traumatiin

> <SYSTEMATIC_NAME>
12-oxo-9Z-dodecenoic acid

> <FORMULA>
C12H20O3

> <MASS>
212.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KIHXTOVLSZRTHJ-ALCCZGGFSA-N

> <INCHI>
InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,11H,1-4,6,8-10H2,(H,14,15)/b7-5-

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

> <KEGG_ID>
C16311

> <HMDB_ID>
-

> <CHEBI_ID>
19143

> <ABBREVIATION>
FA 12:2;O

> <CAYMAN_ID>
37713

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9548789

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
120290

> <CITATION>
14984738

$$$$