LMPR01070137
  LIPID_MAPS_STRUCTURE_DATABASE

 43 42  0     0  0            999 V2000
    6.7114    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5773    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4435    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1753    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9074    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6393    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5053    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3712    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2373    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1033    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9692    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8353    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7012    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5672    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4331    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2991    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1650    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0311    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8971    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7630    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6291    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4951    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3610    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2269    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0931    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9590    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8249    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6911    8.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415   10.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5053   10.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9692   10.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2991    7.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7630    7.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2269    7.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5570    9.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5773   10.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6911    7.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7114    9.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5465    8.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3893    7.0114    0.0000 C   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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 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
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  6 32  1  0  0  0  0
 10 33  1  0  0  0  0
 14 34  1  0  0  0  0
 19 35  1  0  0  0  0
 23 36  1  0  0  0  0
 27 37  1  0  0  0  0
 31 38  1  0  0  0  0
  2 39  1  0  0  0  0
 31 40  1  0  0  0  0
  2 41  1  0  0  0  0
 31 42  1  0  0  0  0
 40 43  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070137

> <COMMON_NAME>
Hydroxyspirilloxanthin

> <SYSTEMATIC_NAME>
1'-Methoxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-caroten-1-ol

> <FORMULA>
C41H58O2

> <MASS>
582.44

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
OH-Spirilloxanthin; Monomethylated spirilloxanthin

> <INCHI_KEY>
SSZVJOJPPUPCBF-JARCNSDHSA-N

> <INCHI>
InChI=1S/C41H58O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-31,42H,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,30-18+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+

> <SMILES>
CC(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)/C=C/CC(C)(OC)C

> <KEGG_ID>
C15879

> <HMDB_ID>
-

> <CHEBI_ID>
80150

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5366504

> <LIPIDBANK_ID>
VCA1055

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1085

> <CITATION>
-

$$$$