LMPR01090048
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0  0  0  0  0  0  0  0999 V2000
    6.2689    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6979    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3959    8.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5558    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5709    8.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4136    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  8  1  0  0  0  0
  4  3  2  0  0  0  0
 20  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  6  3  1  0  0  0  0
 16  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8 19  2  0  0  0  0
 17  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 21  2  0  0  0  0
 14 15  1  0  0  0  0
 19 17  1  0  0  0  0
 17 18  1  0  0  0  0
  2 22  1  6  0  0  0
M  END
> <LM_ID>
LMPR01090048

> <COMMON_NAME>
(3S)-11-cis-3-hydroxyretinal

> <SYSTEMATIC_NAME>
(2E,4Z,6E,8E)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal (3S)-11-cis-3-hydroxyretinal

> <FORMULA>
C20H28O2

> <MASS>
300.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QPRQNCDEPWLQRO-GQSKFBJNSA-N

> <INCHI>
InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6-,10-9+,15-7+,16-11+/t18-/m0/s1

> <SMILES>
C1C(C)(C)C(=C(C[C@@H]1O)C)/C=C/C(/C)=C/C=C\C(\C)=C\C=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
52227

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25229574

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$