LMPR01090064
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    7.5545   -5.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5545   -6.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4192   -6.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2841   -6.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2841   -5.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4192   -4.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1670   -4.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0320   -5.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8966   -4.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7617   -5.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6266   -4.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4916   -5.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3565   -4.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2213   -5.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0862   -4.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9199   -3.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9185   -3.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8966   -3.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3565   -3.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603   -6.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9511   -5.2491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4192   -7.7460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  9 18  1  0  0  0  0
 13 19  1  0  0  0  0
  4 20  1  0  0  0  0
 15 21  2  0  0  0  0
  3 22  2  0  0  0  0
M  END
> <LM_ID>
LMPR01090064

> <COMMON_NAME>
4-Oxoretinaldehyde

> <SYSTEMATIC_NAME>
4-oxo-15-apo-beta-caroten-15-al

> <FORMULA>
C20H26O2

> <MASS>
298.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-Ketoretinal; all-trans-4-Ketoretinal; 4-Oxoretinal

> <INCHI_KEY>
PLILDISEFZJECC-RMWYGNQTSA-N

> <INCHI>
InChI=1S/C20H26O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14H,11,13H2,1-5H3/b8-6+,10-9+,15-7+,16-12+

> <SMILES>
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=O)=C(C)C(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
139347

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6151363

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8355

> <CITATION>
8643496

$$$$