LMPR01090068
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    6.9267    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5869    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7209    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1227    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4529    7.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4267    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4267    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5869    9.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    5.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0     0  0
  1 21  1  0     0  0
  1  2  1  0     0  0
  2 15  1  0     0  0
  3  2  2  0     0  0
 19  3  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  1  6  1  0     0  0
  8  7  1  0     0  0
 16  7  2  0     0  0
  9  8  1  0     0  0
 10  9  1  0     0  0
 17  9  1  0     0  0
 11 10  2  0     0  0
 12 11  1  0     0  0
 13 12  2  0     0  0
 14 13  1  0     0  0
 18 13  1  0     0  0
 15 14  2  0     0  0
  7 22  1  0     0  0
  4 23  2  0     0  0
M  END
> <LM_ID>
LMPR01090068

> <COMMON_NAME>
4-oxo-13,14-dihydroretinoic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XMIWQNUYRMSNDU-KEUMZJLDSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,15H,11-13H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
166451873

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
15911617

$$$$