LMPR01070585
  LIPID_MAPS_STRUCTURE_DATABASE

 43 43  0     0  0            999 V2000
    9.5410  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5410  -16.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906  -17.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2898  -16.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2898  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1392  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0384  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8880  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7373  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6366  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4859  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3353  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2347  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0841  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9334  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8327  -15.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6820  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5315  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4308  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2801  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1295  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8909  -14.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8901  -14.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1392  -17.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0288  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8783  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1295  -16.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6820  -16.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8880  -14.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3353  -14.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7276  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6269  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4762  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6269  -16.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3256  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1751  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0244  -15.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8738  -15.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0244  -16.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3777  -18.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9073  -16.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6480  -17.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  4 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 28  1  0  0  0  0
 18 29  1  0  0  0  0
  9 30  1  0  0  0  0
 13 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
  3 41  2  0  0  0  0
 38 42  1  0  0  0  0
  2 43  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070585

> <COMMON_NAME>
Dehydroflexixanthin

> <SYSTEMATIC_NAME>
3,1'-dihydroxy-1,2,3',4'-tetradehydro-1',2'-dihydro-beta,psi-caroten-4-one

> <FORMULA>
C40H52O3

> <MASS>
580.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LWTGAYCFJYBGBX-WYRSRSBYSA-N

> <INCHI>
InChI=1S/C40H52O3/c1-30(19-13-21-32(3)22-14-23-33(4)25-16-28-40(9,10)43)17-11-12-18-31(2)20-15-24-34(5)26-27-36-35(6)38(42)37(41)29-39(36,7)8/h11-27,29,41,43H,28H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,30-17+,31-18+,32-21+,33-23+,34-24+

> <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/CC(C)(O)C)=C(C)C(=O)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101928206

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
980271

> <CITATION>
31600855

$$$$