LMPR01090022
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0  0  0  0  0  0  0  0999 V2000
    5.0000    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7146    7.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4293    7.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4293    8.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7146    9.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1845    9.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2448    9.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1440    9.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1440    7.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8585    8.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5731    9.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5731    9.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2865    8.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2865    7.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    7.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    6.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4304    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2865    6.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    5.0000    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  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <LM_ID>
LMPR01090022

> <COMMON_NAME>
9-cis-retinoic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O2

> <MASS>
300.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Alitretinoin

> <INCHI_KEY>
SHGAZHPCJJPHSC-ZVCIMWCZSA-N

> <INCHI>
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+

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

> <KEGG_ID>
C15493

> <HMDB_ID>
HMDB0002369

> <CHEBI_ID>
50648

> <ABBREVIATION>
-

> <CAYMAN_ID>
14587

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
449171

> <LIPIDBANK_ID>
VVA0021

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$