LMPR01070769
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
   21.4095  -14.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4095  -15.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.0285  -14.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8957  -14.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7627  -14.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6298  -14.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4968  -14.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3639  -14.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2309  -14.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0979  -14.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9650  -14.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8320  -14.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6990  -14.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5661  -14.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   36.1672  -14.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0343  -14.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7759  -13.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7771  -13.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8966  -14.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7492  -14.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5993  -14.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   41.3179  -13.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   38.7167  -12.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0343  -15.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.2309  -13.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0100  -16.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5318  -14.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.1697  -14.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  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
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 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
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 20 21  1  0     0  0
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  6 23  1  0     0  0
  6 24  1  0     0  0
 22 25  1  0     0  0
 25 26  2  0     0  0
 27 26  1  0     0  0
 27 28  1  0     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
 27 32  2  0     0  0
 28 33  1  0     0  0
 28 34  1  0     0  0
 32 35  1  0     0  0
 22 36  1  0     0  0
 18 37  1  0     0  0
  9 38  1  0     0  0
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  4 40  1  0     0  0
  1 41  2  0     0  0
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M  END
> <LM_ID>
LMPR01070769

> <COMMON_NAME>
Didehydro-2,2'-diketo-beta-carotene

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

> <FORMULA>
C40H50O2

> <MASS>
562.38

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KIXSFZIDWYQFEK-RIRRTMASSA-N

> <INCHI>
InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-25-35-33(5)23-27-37(41)39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-26-36-34(6)24-28-38(42)40(36,9)10/h11-23,25-27H,24,28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+

> <SMILES>
C1(=O)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/C2=C(C)CCC(=O)C2(C)C)=C(C)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14991249

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7024

> <CITATION>
-

$$$$