KEGG   COMPOUND: C15952
Entry
C15952                      Compound                               
Name
Thermocryptoxanthin-11
Formula
C57H86O7
Exact mass
882.6374
Mol weight
883.29
Structure
Other DBs
PubChem: 47205266
ChEBI: 80202
NIKKAJI: J2.799.728G
LinkDB
KCF data

ATOM        64
            1   C2y C    20.1600  -14.2100
            2   C1z C    18.9000  -13.5100
            3   C2y C    20.1600  -15.6100
            4   C2b C    21.3500  -13.5100
            5   C1x C    17.7100  -14.2100
            6   C1a C    19.6000  -12.2500
            7   C1a C    18.2000  -12.2500
            8   C1x C    18.9000  -16.3100
            9   C1a C    21.3500  -16.3100
            10  C2b C    22.5400  -14.2100
            11  C1y C    17.7100  -15.6100
            12  C2c C    23.8000  -13.5100
            13  C2b C    24.9900  -14.2100
            14  C1a C    23.8000  -12.1100
            15  C2b C    26.1800  -13.5100
            16  C2b C    27.4400  -14.2100
            17  C2c C    28.6300  -13.5100
            18  C2b C    29.8200  -14.2100
            19  C1a C    28.6300  -12.1100
            20  C2b C    31.0800  -13.5100
            21  C2b C    32.2700  -14.2100
            22  C2b C    33.4600  -13.5100
            23  C2c C    34.6500  -14.2100
            24  C2b C    35.9100  -13.5100
            25  C1a C    34.6500  -15.6100
            26  C2b C    37.1000  -14.2100
            27  C2b C    38.2900  -13.5100
            28  C2c C    39.5500  -14.2100
            29  C2b C    40.7400  -13.5800
            30  C1a C    39.5500  -15.6100
            31  C2b C    41.9300  -14.2800
            32  C2y C    43.1900  -13.5800
            33  C1z C    44.3800  -14.2800
            34  C2y C    43.1900  -12.1800
            35  C1x C    45.5700  -13.5800
            36  C1a C    44.0300  -15.6100
            37  C1a C    45.0800  -15.4700
            38  C1x C    44.3800  -11.4800
            39  C1a C    41.9300  -11.4800
            40  C1x C    45.5700  -12.1800
            41  O2a O    16.5200  -16.3100
            42  C1y C    15.2600  -16.9400
            43  O2x O    14.0700  -16.3100
            44  C1y C    12.8800  -16.9400
            45  C1y C    12.8800  -18.3400
            46  C1y C    14.0700  -19.0400
            47  C1y C    15.2600  -18.3400
            48  C1b C    11.6200  -16.2400
            49  O7a O    10.4300  -16.9400
            50  O1a O    11.6200  -19.1100
            51  O1a O    16.5200  -19.0400
            52  O1a O    14.0700  -20.4400
            53  C7a C     9.1700  -16.2400
            54  O6a O     9.1700  -14.8400
            55  C1b C     7.9800  -16.9400
            56  C1b C     6.7900  -16.3100
            57  C1b C     5.6000  -16.9400
            58  C1b C     4.4100  -16.3100
            59  C1c C     3.2200  -16.9400
            60  C1a C     2.0300  -16.3100
            61  C1a C     3.2200  -18.3400
            62  C1b C     5.6000  -16.9400
            63  C1b C     5.6000  -16.9400
            64  C1b C     5.6000  -16.9400
BOND        66
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11   10  12 1
            12   12  13 2
            13   12  14 1
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   17  19 1
            19   18  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   23  25 1
            25   24  26 2
            26   26  27 1
            27   27  28 2
            28   28  29 1
            29   28  30 1
            30   29  31 2
            31   31  32 1
            32   32  33 1
            33   32  34 2
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37   34  38 1
            38   34  39 1
            39   35  40 1
            40   38  40 1
            41   11   8 1
            42   11  41 1 #Up
            43   42  43 1
            44   43  44 1
            45   44  45 1
            46   45  46 1
            47   46  47 1
            48   42  47 1
            49   42  41 1 #Up
            50   48  49 1
            51   44  48 1 #Up
            52   45  50 1 #Down
            53   47  51 1 #Down
            54   46  52 1 #Up
            55   49  53 1
            56   53  54 2
            57   53  55 1
            58   55  56 1
            59   58  59 1
            60   59  60 1
            61   59  61 1
            62   56  57 1
            63   57  62 1
            64   62  63 1
            65   63  64 1
            66   64  58 1
BRACKET     1     4.9700  -17.7800    4.9700  -15.6100
            1     6.0200  -15.6100    6.0200  -17.7800
            1  4
 ORIGINAL  1   57
 REPEAT    1   62  63  64

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