LMPR01090040
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0     0  0            999 V2000
    6.0606    9.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    8.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917    8.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917    9.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269   10.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2842   11.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696   11.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6580   10.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6580    8.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5243    9.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906   10.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906   11.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    9.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1702   10.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8394    9.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3393    8.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7468    7.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3613    8.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1731    6.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5953    6.0606    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
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <LM_ID>
LMPR01090040

> <COMMON_NAME>
11-cis- and 12s-trans-fixed retinal

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H26O

> <MASS>
282.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PHPBVFJVLKEZBG-DTOWMSEUSA-N

> <INCHI>
InChI=1S/C20H26O/c1-15(18-9-8-17(14-18)11-13-21)7-10-19-16(2)6-5-12-20(19,3)4/h7-11,13H,5-6,12,14H2,1-4H3/b10-7+,17-11-,18-15-

> <SMILES>
C1C(C)(C)C(/C=C/C(=C2\C/C(=C\C=O)/C=C\2)/C)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187164

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061327

> <LIPIDBANK_ID>
VVA0039

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$