LMPR01070878
  LIPID_MAPS_STRUCTURE_DATABASE

 42 42  0     0  0            999 V2000
    1.9983  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6007   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4681  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3356   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2031  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0705   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9380  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8054   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6730  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5404   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4079  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2753   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1428  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0102   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8778  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7452   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6127  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4802   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3476  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657   -8.7429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8763   -8.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8365   -8.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2031  -11.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8054   -8.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2753   -8.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6127  -11.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1945   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0620  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9295   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7969  -10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0620  -11.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6538   -9.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5039  -10.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3714   -9.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3714   -8.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5212   -8.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6538   -8.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7691   -8.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0031  -11.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0048  -11.1089    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  1  0     0  0
  5  6  1  0     0  0
  6  7  1  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
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
  2 22  1  0     0  0
  6 23  1  0     0  0
  6 24  1  0     0  0
  7 25  2  0     0  0
 10 26  1  0     0  0
 14 27  1  0     0  0
 19 28  1  0     0  0
 21 29  1  0     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 30 33  1  0     0  0
 32 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 34 39  2  0     0  0
 39 40  1  0     0  0
 35 41  1  0     0  0
 35 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070878

> <COMMON_NAME>
Ceratoxanthin

> <SYSTEMATIC_NAME>
5-Hydroxy-5,6-seco-beta,beta-caroten-6-one

> <FORMULA>
C40H58O2

> <MASS>
570.44

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TUNCSYYNDGSMRA-JLTXGRSLSA-N

> <INCHI>
InChI=1S/C40H58O2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38(42)40(9,10)30-16-24-36(6)41/h11-14,17-22,25-28,36,41H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

> <SMILES>
CC(O)CCCC(C)(C)C(=O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14409606

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1115353

> <CITATION>
16399003

$$$$