LMPR01090058
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    7.4359   -9.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4359  -10.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3011  -11.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667  -10.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -9.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3011   -9.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -9.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9157   -9.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7809   -9.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6465   -9.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5120   -9.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3776   -9.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2431   -9.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1084   -9.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9738   -9.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8015   -8.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8009   -8.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7809   -8.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2431   -8.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0316  -11.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8392   -9.9258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704  -11.4248    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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  9 18  1  0  0  0  0
 13 19  1  0  0  0  0
  4 20  1  0  0  0  0
 15 21  1  0  0  0  0
  2 22  1  1  0  0  0
M  END
> <LM_ID>
LMPR01090058

> <COMMON_NAME>
Vitamin A3

> <SYSTEMATIC_NAME>
15-Apo-beta-caroten-3,15-diol

> <FORMULA>
C20H30O2

> <MASS>
302.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
all-trans-3R-hydroxyretinol

> <INCHI_KEY>
OBODKGDXEIUEIH-ZCEAMUHZSA-N

> <INCHI>
InChI=1S/C20H30O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-11,18,21-22H,12-14H2,1-5H3/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/CO)=C(C)C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22797834

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
497982

> <CITATION>
606253

$$$$