LMPR01070121
  LIPID_MAPS_STRUCTURE_DATABASE

 43 42  0     0  0            999 V2000
    9.2567    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1699    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0132    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0132    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5428    9.5387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5428    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8902    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7302    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5739    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4504    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4504    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4800    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6166    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3172    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1775    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4424    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5790    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0677    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9111    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9111    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7747    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6449    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5083    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3485    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2484    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1153    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2484    6.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9819    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7121    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7121    6.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8320    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1729    6.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1729    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3592    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9295    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0430    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6166    6.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7766    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6960    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4289   10.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063    6.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456    8.6508    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
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 29 32  1  0  0  0  0
 18 30  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 17 35  1  0  0  0  0
 36 37  1  0  0  0  0
 34 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  2  0  0  0  0
 36 39  1  0  0  0  0
  6 40  1  0  0  0  0
  5 41  1  0  0  0  0
  7 42  2  0  0  0  0
  6 43  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070121

> <COMMON_NAME>
Spheroidenone

> <SYSTEMATIC_NAME>
1-Methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-2-one

> <FORMULA>
C41H58O2

> <MASS>
582.44

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZQFURSYWJPLAJR-FZFXUSNISA-N

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

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

> <KEGG_ID>
C15903

> <HMDB_ID>
-

> <CHEBI_ID>
62480

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5366412

> <LIPIDBANK_ID>
VCA1039

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
119542

> <CITATION>
16228308

$$$$