LMPR01070971
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    2.9772  -12.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9772  -13.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8440  -14.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7107  -13.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7107  -12.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8440  -12.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5954  -12.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4623  -12.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289  -12.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1957  -12.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0626  -12.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9293  -12.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7959  -12.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6627  -12.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5294  -12.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3962  -12.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2630  -12.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1297  -12.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9964  -12.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8632  -12.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7299  -12.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5967  -12.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3434  -11.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3443  -11.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5909  -14.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4587  -12.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3109  -12.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1609  -12.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0119  -12.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8788  -12.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8788  -11.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0276  -10.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1609  -11.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5967  -13.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1297  -13.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289  -11.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7959  -11.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3017  -10.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5123  -13.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5116  -13.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109  -14.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7658  -10.6629    0.0000 O   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  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  7  1  1     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
  6 23  1  0     0  0
  6 24  1  0     0  0
  4 25  1  0     0  0
 22 26  1  0     0  0
 26 27  2  0     0  0
 28 27  1  6     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  2  0     0  0
 28 33  1  0     0  0
 22 34  1  0     0  0
 18 35  1  0     0  0
  9 36  1  0     0  0
 13 37  1  0     0  0
 33 38  1  0     0  0
 29 39  1  0     0  0
 29 40  1  0     0  0
  2 41  2  0     0  0
 31 42  2  0     0  0
M  END
> <LM_ID>
LMPR01070971

> <COMMON_NAME>
(6R,6'S)-3,3'-Diketo-epsilon-carotene

> <SYSTEMATIC_NAME>
(6R,6'S)-epsilon,epsilon-Carotene-3,3'-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>
IMFOMPZKWQBDLQ-DXDMHNJWSA-N

> <INCHI>
InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,37-38H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t37-,38+

> <SMILES>
C1C(C)(C)[C@@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)=CC(=O)CC2(C)C)C(C)=CC1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14409077

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8241; 761904

> <CITATION>
-

$$$$