LMPR01090061
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    6.9645  -11.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9644  -12.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8297  -12.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6952  -12.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6952  -11.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8296  -10.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5785  -10.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4442  -11.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3094  -10.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1751  -11.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0406  -10.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0400  -10.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3300   -9.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3295   -9.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3094   -9.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5601  -12.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9055  -11.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7709  -10.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6363  -11.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9054  -12.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5017  -10.5505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0991  -12.5492    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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  9 15  1  0  0  0  0
  4 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
  2 22  1  1  0  0  0
M  END
> <LM_ID>
LMPR01090061

> <COMMON_NAME>
(11Z)-3R-Hydroxyretinal

> <SYSTEMATIC_NAME>
(11Z,3R)-3-Hydroxy-15-apo-beta-caroten-15-al

> <FORMULA>
C20H28O2

> <MASS>
300.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QPRQNCDEPWLQRO-NIKQCJNBSA-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-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66898

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
70678854

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7137

> <CITATION>
19020100

$$$$