LMFA01140114
  LIPID_MAPS_STRUCTURE_DATABASE

 18 18  0     0  0            999 V2000
   -0.4311   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -0.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998   -0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1688   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7759   -0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6449   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3770   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3770    0.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110    1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6450    0.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110   -1.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3770   -2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3770   -3.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2430   -3.7490    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  2  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
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14  9  2  0     0  0
 10 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
M  END
> <LM_ID>
LMFA01140114

> <COMMON_NAME>
CVCL1

> <SYSTEMATIC_NAME>
7-(2-Buta-1E,3-dienyl-phenyl)-hepta-3E,5E-dienoic acid

> <FORMULA>
C16H16O2

> <MASS>
240.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BQGMIQAQNTYVNM-YISFRKSUSA-N

> <INCHI>
InChI=1S/C16H16O2/c1-2-3-9-14-11-7-8-12-15(14)10-5-4-6-13-16(17)18/h2-12H,1,13H2,(H,17,18)/b6-4+,9-3+,10-5+

> <SMILES>
C(C/C=C/C=C/C1=CC=CC=C1/C=C/C=C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <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>
536

> <CITATION>
39354171

$$$$