LMPR01070988
  LIPID_MAPS_STRUCTURE_DATABASE

 41 42  0     0  0            999 V2000
   -2.5504  -13.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504  -14.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897  -14.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289  -14.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289  -13.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897  -12.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0497  -12.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0452  -14.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099  -12.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706  -11.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7314  -12.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5922  -11.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530  -12.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3138  -11.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746  -12.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0354  -11.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8963  -12.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7570  -11.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6178  -12.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4786  -11.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3394  -12.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2001  -11.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0611  -12.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0611  -13.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6178  -13.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3138  -10.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9195  -11.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7886  -12.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6335  -11.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4900  -12.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3590  -11.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3593  -10.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5027  -10.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6337  -10.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7528  -10.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4899  -13.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2410  -12.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4281  -14.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1899  -11.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894  -11.8273    0.0000 C   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
  4  8  1  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
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 19 25  1  0     0  0
 10 26  1  0     0  0
 14 27  1  0     0  0
  7  9  3  0     0  0
 23 28  1  0     0  0
 28 29  2  0     0  0
 29 30  1  0     0  0
 30 31  2  0     0  0
 31 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 34 35  2  0     0  0
 30 35  1  0     0  0
 35 36  1  0     0  0
 31 37  1  0     0  0
 32 38  1  0     0  0
  2 39  1  0     0  0
  6 40  1  0     0  0
  6 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070988

> <COMMON_NAME>
Isotedaniaxanthin

> <SYSTEMATIC_NAME>
7,8-Didehydrp-beta,phi-caroten-3-ol

> <FORMULA>
C40H50O

> <MASS>
546.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SOJDGAXLAOSMCR-FQEPDEJYSA-N

> <INCHI>
InChI=1S/C40H50O/c1-29(17-13-19-31(3)21-25-38-34(6)24-23-33(5)36(38)8)15-11-12-16-30(2)18-14-20-32(4)22-26-39-35(7)27-37(41)28-40(39,9)10/h11-21,23-25,37,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,29-15+,30-16+,31-19+,32-20+

> <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/C2C(C)=CC=C(C)C=2C)\C)=C(C)CC1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23424989

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2685267

> <CITATION>
-

$$$$