LMPR01070561
  LIPID_MAPS_STRUCTURE_DATABASE

 42 42  0     0  0            999 V2000
    0.9128  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9128  -12.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7642  -13.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655  -12.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7642  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5169  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4182  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2696  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1208  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8735  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7248  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6262  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4775  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3288  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2301  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0814  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9328  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8341  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6854  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5368  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2634  -10.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2649  -10.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5169  -13.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4381  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2895  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5368  -12.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0814  -12.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2696  -10.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7248  -10.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0616  -13.2658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1407  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0421  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8934  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0421  -12.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7447  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5960  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4473  -11.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2986  -11.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4473  -12.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1727  -13.2673    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
  6 23  1  0     0  0
  6 24  1  0     0  0
  4 25  1  0     0  0
 22 26  1  0     0  0
 26 27  2  0     0  0
 22 28  1  0     0  0
 18 29  1  0     0  0
  9 30  1  0     0  0
 13 31  1  0     0  0
  2 32  1  0     0  0
 27 33  1  0     0  0
 33 34  2  0     0  0
 34 35  1  0     0  0
 34 36  1  0     0  0
 35 37  1  0     0  0
 37 38  1  0     0  0
 38 39  2  0     0  0
 39 40  1  0     0  0
 39 41  1  0     0  0
 36 42  2  0     0  0
M  END
> <LM_ID>
LMPR01070561

> <COMMON_NAME>
Ternstroemiaxanthin

> <SYSTEMATIC_NAME>
3-Hydroxy-beta,psi-caroten-18'-al

> <FORMULA>
C40H54O2

> <MASS>
566.41

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MLUKPOIWSTVUNY-GOVLNQEPSA-N

> <INCHI>
InChI=1S/C40H54O2/c1-31(2)16-12-24-37(30-41)25-15-23-34(5)21-13-19-32(3)17-10-11-18-33(4)20-14-22-35(6)26-27-39-36(7)28-38(42)29-40(39,8)9/h10-11,13-23,25-27,30,38,42H,12,24,28-29H2,1-9H3/b11-10+,19-13+,20-14+,23-15+,27-26+,32-17+,33-18+,34-21+,35-22+,37-25-

> <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=O)/CC/C=C(\C)/C)=C(C)CC1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443474

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
931930

> <CITATION>
-

$$$$