LMPR01070493
  LIPID_MAPS_STRUCTURE_DATABASE

 44 43  0     0  0            999 V2000
    3.9075  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7539   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4964   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3427  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2388   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0851  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9314   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8276  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6739   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5202  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4163   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2626  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1090   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9553  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8514   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6977  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5441   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4964   -8.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9314   -8.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2626  -11.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0612   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3188   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4725  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4237   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0612   -8.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4237   -8.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3904  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2865   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1329  -10.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9792   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.4641   -9.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1329  -11.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5679  -11.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4193  -10.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2894   -9.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4336   -8.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4338  -10.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524  -11.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
  4 19  1  0     0  0
  8 20  1  0     0  0
 13 21  1  0     0  0
 17 22  1  0     0  0
  1 23  2  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 23 28  1  0     0  0
 27 29  1  0     0  0
 18 30  2  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 32 38  1  0     0  0
 36 39  1  0     0  0
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 36 43  1  0     0  0
 24 44  2  0     0  0
M  END
> <LM_ID>
LMPR01070493

> <COMMON_NAME>
R.g.Keto-IV

> <SYSTEMATIC_NAME>
1'-Hydroxy-1-methoxy-1,2,1',2'-tetrahydro-psi,psi-caroten-4-one

> <FORMULA>
C41H60O3

> <MASS>
600.45

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Thiothece-OH-484

> <INCHI_KEY>
GNQGCRSAOCMLSV-NELSBDBUSA-N

> <INCHI>
InChI=1S/C41H60O3/c1-33(21-14-23-35(3)24-16-26-37(5)28-18-31-40(7,8)43)19-12-13-20-34(2)22-15-25-36(4)27-17-29-38(6)39(42)30-32-41(9,10)44-11/h12-17,19-27,29,43H,18,28,30-32H2,1-11H3/b13-12+,21-14+,22-15+,24-16+,27-17+,33-19+,34-20+,35-23+,36-25+,37-26+,38-29+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443722

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1071

> <CITATION>
4778251

$$$$