LMPR01070280
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
   25.3419    8.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3419    9.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2055    7.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4784    7.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2115    9.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3385    9.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8370   10.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0751    8.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2055    6.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6147    8.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0751    9.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7512    7.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9448    9.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8814    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7450    6.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0179    7.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1483    8.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2847    8.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4150    8.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2786    6.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5515    8.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6878    8.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8243    8.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9548    8.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0911    8.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9607    9.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2214    8.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3578    8.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4881    8.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4943    9.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7611    8.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9035    8.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9035    7.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0339    8.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0339    6.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1530    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8646    6.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1642    8.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0339    9.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1642    7.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.5227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 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
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
 35 39  2  0  0  0  0
 35 40  1  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
  8 11  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070280

> <COMMON_NAME>
Rhodoxanthin

> <SYSTEMATIC_NAME>
4',5'-Didehydro-4,5'-retro-epsilon,epsilon-carotene-3,3'-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>
VWXMLZQUDPCJPL-ZDHAIZATSA-N

> <INCHI>
InChI=1S/C40H50O2/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/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-

> <SMILES>
C1(=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)=CC(=O)CC/2(C)C)\C(C)=CC(=O)CC\1(C)C

> <KEGG_ID>
C08610

> <HMDB_ID>
-

> <CHEBI_ID>
8835

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281251

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
208056; 105696

> <CITATION>
17400013; 5753092

$$$$