LMPR01070979
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
   14.8523  -16.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8523  -17.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7190  -17.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5858  -17.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5858  -16.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7190  -15.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4705  -15.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3374  -16.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2041  -15.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0708  -16.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9377  -15.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8044  -16.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6710  -15.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5378  -16.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4045  -15.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2713  -16.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1381  -15.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0049  -16.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8716  -15.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7383  -16.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6050  -15.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4718  -16.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2185  -14.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2194  -14.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4659  -17.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3338  -15.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1861  -16.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0361  -15.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8871  -16.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7540  -15.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7540  -14.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9029  -14.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0361  -14.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4718  -17.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0049  -17.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2041  -14.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6710  -14.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1768  -14.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3875  -17.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3868  -17.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9860  -17.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6410  -14.1880    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  2  0  0  0  0
  4  5  1  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
 15 16  2  0  0  0  0
 16 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
 21 22  2  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  4 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 22 34  1  0  0  0  0
 18 35  1  0  0  0  0
  9 36  1  0  0  0  0
 13 37  1  0  0  0  0
 33 38  1  0  0  0  0
 29 39  1  0  0  0  0
 29 40  1  0  0  0  0
  2 41  2  0  0  0  0
 31 42  2  0  0  0  0
M  END
> <LM_ID>
LMPR01070979

> <COMMON_NAME>
3,3'-Diketo-epsilon-carotene

> <SYSTEMATIC_NAME>
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-DKLMTRRASA-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+

> <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/C2C(C)=CC(=O)CC2(C)C)C(C)=CC1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
145971

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5471691

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
208056; 9606

> <CITATION>
17400013; 26541886

$$$$