LMPR01070509
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
    0.6278  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6278  -11.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4935  -12.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3592  -11.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3592  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4935  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8398  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5710  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4367  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3025  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1681  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0338  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8994  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7651  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6309  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4964  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3621  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2278  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0934  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8248  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6905  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5561  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4218  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2875  -10.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1532  -10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2003   -9.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7867   -9.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741   -9.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4367   -9.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7651  -11.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2278  -11.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6905  -11.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0301  -10.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1534  -11.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161  -12.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8877  -10.5641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  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
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
  6 31  1  0     0  0
  6 32  1  0     0  0
  9 33  1  0     0  0
 13 34  1  0     0  0
 18 35  1  0     0  0
 22 36  1  0     0  0
 26 37  1  0     0  0
 30 38  1  0     0  0
 30 39  1  0     0  0
  4 40  1  0     0  0
 38 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070509

> <COMMON_NAME>
16'-Hydroxytorulene

> <SYSTEMATIC_NAME>
3',4'-Didehydro-beta,psi-caroten-16'-ol

> <FORMULA>
C40H54O

> <MASS>
550.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DOLAYTVSJQMCNE-HMHVFHPLSA-N

> <INCHI>
InChI=1S/C40H54O/c1-32(19-12-21-34(3)22-13-23-35(4)24-15-26-37(6)31-41)17-10-11-18-33(2)20-14-25-36(5)28-29-39-38(7)27-16-30-40(39,8)9/h10-15,17-26,28-29,41H,16,27,30-31H2,1-9H3/b11-10+,19-12+,20-14+,22-13+,24-15+,29-28+,32-17+,33-18+,34-21+,35-23+,36-25+,37-26+

> <SMILES>
C1C(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(\C)/CO)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101439922

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5537

> <CITATION>
-

$$$$