LMPR01070298
  LIPID_MAPS_STRUCTURE_DATABASE

 31 31  0  0  0  0  0  0  0  0999 V2000
    6.4339    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4339    5.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1448    6.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1448    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8597    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5741    6.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2883    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5741    7.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0075    6.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7218    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4403    6.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1546    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4403    7.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8655    6.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5840    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2982    6.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0208    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7351    6.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0208    5.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4460    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1643    6.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8829    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5936    6.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8829    5.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3080    6.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3025    7.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154    6.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1284    7.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 30  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
 30  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 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
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6  8  1  0  0  0  0
 30 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070298

> <COMMON_NAME>
8'-apo-beta-carotenol

> <SYSTEMATIC_NAME>
8'-apo-beta-caroten-8'-ol

> <FORMULA>
C30H42O

> <MASS>
418.32

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C40 isoprenoids (tetraterpenes) [PR0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8'-apo-beta-Carotenol; 8'-apo-beta-carotenol

> <INCHI_KEY>
YKSARTKNUYWHKA-DOKBYWHISA-N

> <INCHI>
InChI=1S/C30H42O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,31H,12,19,22-23H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+

> <SMILES>
C1(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CO)C(C)(C)CCCC=1C

> <KEGG_ID>
C06733

> <HMDB_ID>
-

> <CHEBI_ID>
18092

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280991

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$