LMPR01070484
  LIPID_MAPS_STRUCTURE_DATABASE

 42 41  0     0  0            999 V2000
    5.1859  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0323   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9283  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7747   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5172   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3633  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2098   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1058  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9522   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7985  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6945   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5410  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3873   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2336  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1296   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9761  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8223   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7747   -8.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2098   -8.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5410  -11.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9761  -11.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4435  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7509  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8548   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396   -8.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6687  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5648   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4111  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2574   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1536  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9999   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8461  -10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7423   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4111  -11.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8461  -11.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1409  -10.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8548   -8.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4317  -11.1839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2443   -8.6830    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
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
  4 19  1  0     0  0
  8 20  1  0     0  0
 13 21  1  0     0  0
 17 22  1  0     0  0
  1 23  2  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 23 28  1  0     0  0
 18 29  2  0     0  0
 29 30  1  0     0  0
 30 31  2  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  2  0     0  0
 35 36  1  0     0  0
 31 37  1  0     0  0
 35 38  1  0     0  0
 27 39  1  0     0  0
 27 40  1  0     0  0
 24 41  2  0     0  0
 32 42  2  0     0  0
M  END
> <LM_ID>
LMPR01070484

> <COMMON_NAME>
4,4'-Diketolycopene

> <SYSTEMATIC_NAME>
psi,psi-Carotene-4,4'-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>
MZQCGFHMKFDRKJ-CATRKCNMSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443682

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33

> <CITATION>
-

$$$$