LMPR01090028
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    6.0606    7.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9254    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7915    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7915    7.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9254    8.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2826    9.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5694    9.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577    8.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5239    7.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3900    8.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3900    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2562    7.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1224    8.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9886    7.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    8.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7208    7.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5855    8.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4517    7.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5855    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5239    9.8590    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
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <LM_ID>
LMPR01090028

> <COMMON_NAME>
19-Hydroxy-all-trans-retinoic 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>
QZKISTBYGXZBOE-JHYVTPCUSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-15(13-19(22)23)7-5-9-17(14-21)10-11-18-16(2)8-6-12-20(18,3)4/h5,7,9-11,13,21H,6,8,12,14H2,1-4H3,(H,22,23)/b7-5+,11-10+,15-13+,17-9-

> <SMILES>
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/CO)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
156173

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061318

> <LIPIDBANK_ID>
VVA0027

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
1335240

$$$$