LMPR01070153
  LIPID_MAPS_STRUCTURE_DATABASE

 45 44  0     0  0            999 V2000
    6.7152    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5816    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4483    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3147    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1811    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0478    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9142    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7806    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6471    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5136    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2466    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1131    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9795    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8461    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7125    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5790    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4454    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3119    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1783    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0449    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9114    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7778    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6443    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5109    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3773    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2437    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1103    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9767    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8431    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7098    8.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0478    9.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5136    9.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9795    9.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3119    7.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7778    7.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2437    7.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5762    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5816    9.9195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7098    7.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7152    9.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5657    7.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4483    7.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7258   10.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4085    6.7152    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
  3 43  2  0  0  0  0
 39 44  1  0  0  0  0
 40 45  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070153

> <COMMON_NAME>
Ketospirilloxanthin

> <SYSTEMATIC_NAME>
1,1'-Dimethoxy-3,4,3',4'-tetrahydro-1,2,1',2'-tetrahydro-psi,psi-caroten-2-one

> <FORMULA>
C42H58O3

> <MASS>
610.44

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-Oxospirilloxanthin

> <INCHI_KEY>
AUIMFBMJZYMMRO-MRLRKSOKSA-N

> <INCHI>
InChI=1S/C42H58O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-32H,33H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+

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

> <KEGG_ID>
C15884

> <HMDB_ID>
-

> <CHEBI_ID>
64792

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061269

> <LIPIDBANK_ID>
VCA1071

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1063

> <CITATION>
-

$$$$