LMPR01090027
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    7.7837    9.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6498    9.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5143    9.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3804    9.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3804   10.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2465    9.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1126    9.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9786    9.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8446    9.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8446   10.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7108    9.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5768    9.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4428    9.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5768   10.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8691    9.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    8.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000    7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6794    8.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3691   10.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    9.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4218    7.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3732    7.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2131    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  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  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15  1  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  1  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
> <LM_ID>
LMPR01090027

> <COMMON_NAME>
DACP analog of retinoic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H26O3

> <MASS>
314.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FSLMGODKGHHERM-FRCNGJHJSA-N

> <INCHI>
InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-18-17(16(3)21)11-12-20(18,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+

> <SMILES>
C1(=C(C(=O)C)CCC1(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185854

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6438146

> <LIPIDBANK_ID>
VVA0026

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
1110749

$$$$