LMPR01070564
  LIPID_MAPS_STRUCTURE_DATABASE

 42 42  0     0  0            999 V2000
    0.0724  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724  -11.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356  -12.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7988  -11.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7988  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6797  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5429  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2691  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1322  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9952  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8584  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7215  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5846  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4478  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3107  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1740  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0372  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9001  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7632  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6264  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4894  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3526  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2157  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0788  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9419  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8050  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6681  -10.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5314  -10.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059   -9.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8584   -9.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1740  -11.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6264  -11.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0788  -11.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4057  -10.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6530  -12.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -9.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4419   -9.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356  -13.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6675   -9.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5311  -11.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
  9 31  1  0     0  0
 13 32  1  0     0  0
 18 33  1  0     0  0
 22 34  1  0     0  0
 26 35  1  0     0  0
 30 36  1  0     0  0
  4 37  1  0     0  0
  6 38  1  0     0  0
  6 39  1  0     0  0
  3 40  2  0     0  0
 29 41  2  0     0  0
 30 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070564

> <COMMON_NAME>
1',2'-Dihydro-4,2'-diketotorulene

> <SYSTEMATIC_NAME>
3',4'-Didehydro-1',2'-dihydro-beta,psi-carotene-4,2'-dione

> <FORMULA>
C40H52O2

> <MASS>
564.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WVGXAWXOFYFVCL-HXUYHKCISA-N

> <INCHI>
InChI=1S/C40H52O2/c1-30(2)38(41)27-25-35(7)23-15-21-33(5)20-13-18-31(3)16-11-12-17-32(4)19-14-22-34(6)24-26-37-36(8)39(42)28-29-40(37,9)10/h11-27,30H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+

> <SMILES>
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)C)=C(C)C(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443332

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33

> <CITATION>
-

$$$$