LMPR01070650
  LIPID_MAPS_STRUCTURE_DATABASE

 43 44  0     0  0            999 V2000
    6.4582  -10.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -9.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592  -10.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0597   -9.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9101  -10.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7606   -9.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6611  -10.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5116   -9.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3620  -10.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625   -9.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1130  -10.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9635   -9.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8640  -10.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7144   -9.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5649  -10.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4654   -9.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5649  -11.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1130  -11.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -8.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7606   -8.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3159   -9.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1663   -8.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0168   -9.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9173   -8.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9173   -7.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0168   -7.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1663   -7.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5165   -9.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5671   -9.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7678   -7.0177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3159   -7.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5577  -10.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563  -11.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563  -12.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8068  -12.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073  -12.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073  -11.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8068  -10.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3065   -9.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071   -9.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5577  -12.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1058  -12.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073  -13.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  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
 16 15  1  0     0  0
 15 17  1  0     0  0
 11 18  1  0     0  0
  2 19  1  0     0  0
  6 20  1  0     0  0
 16 21  3  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 22 27  2  0     0  0
 23 28  1  0     0  0
 23 29  1  0     0  0
 25 30  1  1     0  0
 27 31  1  0     0  0
  1 32  2  0     0  0
 33 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
 33 38  1  0     0  0
 37 32  2  0     0  0
 38 39  1  0     0  0
 38 40  1  0     0  0
 36 41  1  1     0  0
 34 42  1  1     0  0
 36 43  1  6     0  0
M  END
> <LM_ID>
LMPR01070650

> <COMMON_NAME>
7',8'-Didehydrodeepoxyneoxanthin

> <SYSTEMATIC_NAME>
(3S,5R,3'R)-6,7,7',8'-tetradehydro-beta,beta-carotene-3,5,3'-triol

> <FORMULA>
C40H54O3

> <MASS>
582.41

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WHDXZXVBNOLRCU-XXZDAVLJSA-N

> <INCHI>
InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37-39(8,9)27-35(42)28-40(37,10)43/h11-20,22,34-35,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t24?,34-,35+,40-/m1/s1

> <SMILES>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11548767

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
45948

> <CITATION>
16218688

$$$$