LMPR01070122
  LIPID_MAPS_STRUCTURE_DATABASE

 44 43  0     0  0            999 V2000
    9.6873    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5693    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3858    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3858    9.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9951    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8312    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2678    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1236    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9403    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8194    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8194    9.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6097    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7537    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6686    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5113    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6313    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7786    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3835    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330    9.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0920    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9446    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7743    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6370    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5059    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3583    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5059    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2144    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9228    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9228    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0538    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3431    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3431    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5071    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0452    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1727    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9011    8.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1519    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7783    9.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8915    8.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7537    7.2246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5270    6.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9951    9.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9063   10.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  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  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 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
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 28 31  1  0  0  0  0
 17 29  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 16 34  1  0  0  0  0
 35 36  2  0  0  0  0
 33 36  1  0  0  0  0
 13 37  1  0  0  0  0
 35 37  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 41 42  1  0  0  0  0
  5 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070122

> <COMMON_NAME>
Spirilloxanthin

> <SYSTEMATIC_NAME>
1,1'-Dimethoxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene

> <FORMULA>
C42H60O2

> <MASS>
596.46

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Rhodoviolascin

> <INCHI_KEY>
VAZQBTJCYODOSV-HZUCFJANSA-N

> <INCHI>
InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+

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

> <KEGG_ID>
C15881

> <HMDB_ID>
-

> <CHEBI_ID>
35328

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5366506

> <LIPIDBANK_ID>
VCA1040

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1085

> <CITATION>
-

$$$$