LMPR01070092
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    6.7326    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8563    7.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5440   10.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3560    9.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6778    7.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5122    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0931    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1851    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9324    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3560    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6428    7.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6778    9.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6932    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3560    7.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6778    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8284    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5122   10.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9795    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1351    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1351    7.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2911    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4518    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7731    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9292    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6125    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7731    7.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0898    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2504    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7299    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6428    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4110    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5718    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1851    9.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3262    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4822    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5718    9.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8563    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7299    6.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5497    9.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9201    9.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5257    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8684   10.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  4  3  1  1  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 13  2  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 17  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 12 15  2  0  0  0  0
 23 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 13 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 34 35  2  0  0  0  0
 30 35  1  0  0  0  0
 11 30  2  0  0  0  0
 32 36  1  0  0  0  0
 29 37  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
 11 38  1  0  0  0  0
 29 39  1  0  0  0  0
 29 40  1  0  0  0  0
 16 18  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070092

> <COMMON_NAME>
Parasiloxanthin

> <SYSTEMATIC_NAME>


> <FORMULA>
C40H58O2

> <MASS>
570.44

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7,8-Dihydrozeaxanthin

> <INCHI_KEY>
ZAYHYNGKERKFHJ-DRCJTWAYSA-N

> <INCHI>
InChI=1S/C40H58O2/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/h11-21,23,35-36,41-42H,22,24-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

> <SMILES>
O[C@@H]1CC(C)=C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CCC2=C(C)C[C@H](CC2(C)C)O)C(C)(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
132452

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061229

> <LIPIDBANK_ID>
VCA1010

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
30991

> <CITATION>
-

$$$$