LMPR01070485
  LIPID_MAPS_STRUCTURE_DATABASE

 42 41  0     0  0            999 V2000
    6.2004  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0463   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6334  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5290   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3747  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2206   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1160  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9618   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8077  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7032   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5490  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3949   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2406  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1361   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9819  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8277   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -8.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2206   -8.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5490  -11.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9819  -11.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3547   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4591  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6132   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7675  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3547   -8.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6736  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5691   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4149  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2606   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1563  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0020   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8478  -10.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7434   -9.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4149  -11.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8478  -11.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769  -10.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8741   -8.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4466  -11.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1687  -11.1051    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
 33 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070485

> <COMMON_NAME>
Ketohydroxylycopene

> <SYSTEMATIC_NAME>
3'-Hydroxy-psi,psi-caroten-4-one

> <FORMULA>
C40H54O2

> <MASS>
566.41

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KPTDSQSXOOEINO-CATRKCNMSA-N

> <INCHI>
InChI=1S/C40H54O2/c1-31(2)27-28-40(42)38(10)26-16-24-36(8)22-14-20-34(6)18-12-11-17-33(5)19-13-21-35(7)23-15-25-37(9)30-39(41)29-32(3)4/h11-27,29,39,41H,28,30H2,1-10H3/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)/CC(O)/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87442385

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3885

> <CITATION>
-

$$$$