LMPR01071059
  LIPID_MAPS_STRUCTURE_DATABASE

 34 33  0     0  0            999 V2000
    2.3950  -14.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929  -14.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1408  -14.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889  -14.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8868  -14.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7347  -14.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6327  -14.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306  -14.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3786  -14.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2265  -14.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1245  -14.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9724  -14.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8205  -14.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7183  -14.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5664  -14.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4144  -14.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4144  -15.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9724  -15.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1408  -13.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6327  -13.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5237  -14.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567  -14.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2102  -14.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771  -14.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9441  -14.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567  -13.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2728  -14.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1155  -14.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2102  -15.6892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8282  -14.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6892  -14.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8279  -13.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6949  -13.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523  -12.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 12 18  1  0     0  0
  3 19  1  0     0  0
  7 20  1  0     0  0
  1 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 22 26  1  0     0  0
 16 27  1  0     0  0
 27 28  2  0     0  0
 23 29  2  0     0  0
 25 30  1  0     0  0
 30 31  1  0     0  0
 30 32  1  0     0  0
 30 33  1  0     0  0
 32 34  1  0     0  0
M  END
> <LM_ID>
LMPR01071059

> <COMMON_NAME>
Thiothece-460

> <SYSTEMATIC_NAME>
1-Methoxy-4-oxo-1,2-dihydro-8'-apo-psi-caroten-8'-al

> <FORMULA>
C31H42O3

> <MASS>
462.31

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YBVHJCLVFBRGGU-HNGFKUQUSA-N

> <INCHI>
InChI=1S/C31H42O3/c1-25(14-9-10-15-26(2)18-12-20-28(4)24-32)16-11-17-27(3)19-13-21-29(5)30(33)22-23-31(6,7)34-8/h9-21,24H,22-23H2,1-8H3/b10-9+,16-11+,18-12+,19-13+,25-14+,26-15+,27-17+,28-20+,29-21+

> <SMILES>
C(/C=C(\C)/C(=O)CCC(C)(OC)C)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C=O)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87442981

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
46450

> <CITATION>
4635689

$$$$