KEGG   COMPOUND: C08593
Entry
C08593                      Compound                               
Name
Eschscholtzxanthin
Formula
C40H54O2
Exact mass
566.4124
Mol weight
566.8556
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C08593  Eschscholtzxanthin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Carotenoids
    C08593  Eschscholtzxanthin
Other DBs
CAS: 472-73-1
PubChem: 10786
ChEBI: 4851
LIPIDMAPS: LMPR01070023
KNApSAcK: C00003771
3DMET: B02249
NIKKAJI: J277.884J
KCF data

ATOM        42
            1   C2y C    38.1757  -17.3951
            2   C1z C    38.1757  -15.9995
            3   C2y C    39.3926  -18.0930
            4   C2b C    36.9671  -18.0844
            5   C1x C    39.3926  -15.2932
            6   C1a C    36.9587  -15.2845
            7   C1a C    38.1670  -14.3769
            8   C2x C    40.6009  -17.3951
            9   C1a C    39.3839  -19.4970
            10  C2b C    35.7588  -17.3867
            11  C1y C    40.6095  -15.9995
            12  C2c C    34.5503  -18.0760
            13  O1a O    41.8178  -15.2845
            14  C2b C    33.3334  -17.3781
            15  C1a C    34.6119  -19.4800
            16  C2b C    32.1248  -18.0760
            17  C2b C    30.9079  -17.3781
            18  C2c C    29.6996  -18.0674
            19  C2b C    28.4827  -17.3697
            20  C1a C    29.6910  -19.4716
            21  C2b C    27.2741  -18.0590
            22  C2b C    26.0659  -17.3610
            23  C2b C    24.8573  -18.0503
            24  C2c C    23.6404  -17.3526
            25  C2b C    22.4321  -18.0419
            26  C1a C    23.6404  -15.9484
            27  C2b C    21.2152  -17.3440
            28  C2b C    20.0066  -18.0419
            29  C2c C    18.7897  -17.3440
            30  C2b C    17.5812  -18.0333
            31  C1a C    18.7897  -15.9400
            32  C2b C    16.3729  -17.3356
            33  C2y C    15.1730  -18.0249
            34  C1z C    15.1730  -19.4291
            35  C2y C    13.9561  -17.3270
            36  C1x C    13.9561  -20.1355
            37  C1a C    16.3729  -20.1355
            38  C1a C    15.1560  -20.8331
            39  C2x C    12.7391  -18.0249
            40  C1a C    13.9474  -15.9230
            41  C1y C    12.7391  -19.4291
            42  O1a O    11.5222  -20.1268
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11   10  12 2
            12   11  13 1 #Down
            13   12  14 1
            14   12  15 1
            15   14  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   18  20 1
            20   19  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   24  26 1
            26   25  27 1
            27   27  28 2
            28   28  29 1
            29   29  30 2
            30   29  31 1
            31   30  32 1
            32   32  33 2
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   34  37 1
            37   34  38 1
            38   35  39 2
            39   35  40 1
            40   36  41 1
            41   41  42 1 #Down
            42    8  11 1
            43   39  41 1

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