KEGG   COMPOUND: C15954
Entry
C15954                      Compound                               
Name
Thermocryptoxanthin-13
Formula
C59H90O7
Exact mass
910.6687
Mol weight
911.3417
Structure
Other DBs
PubChem: 47205267
ChEBI: 80203
NIKKAJI: J2.799.755D
LinkDB
KCF data

ATOM        66
            1   C2y C    23.5011  -17.9598
            2   C1z C    22.2392  -17.2587
            3   C2y C    23.5011  -19.3621
            4   C2b C    24.6931  -17.2587
            5   C1x C    21.0472  -17.9598
            6   C1a C    22.9403  -15.9967
            7   C1a C    21.5381  -15.9967
            8   C1x C    22.2392  -20.0632
            9   C1a C    24.6931  -20.0632
            10  C2b C    25.8850  -17.9598
            11  C1y C    21.0472  -19.3621
            12  C2c C    27.1470  -17.2587
            13  C2b C    28.3389  -17.9598
            14  C1a C    27.1470  -15.8565
            15  C2b C    29.5309  -17.2587
            16  C2b C    30.7929  -17.9598
            17  C2c C    31.9847  -17.2587
            18  C2b C    33.1767  -17.9598
            19  C1a C    31.9847  -15.8565
            20  C2b C    34.4387  -17.2587
            21  C2b C    35.6306  -17.9598
            22  C2b C    36.8226  -17.2587
            23  C2c C    38.0144  -17.9598
            24  C2b C    39.2765  -17.2587
            25  C1a C    38.0144  -19.3621
            26  C2b C    40.4683  -17.9598
            27  C2b C    41.6603  -17.2587
            28  C2c C    42.9222  -17.9598
            29  C2b C    44.1142  -17.3287
            30  C1a C    42.9222  -19.3621
            31  C2b C    45.3061  -18.0298
            32  C2y C    46.5682  -17.3287
            33  C1z C    47.7600  -18.0298
            34  C2y C    46.5682  -15.9265
            35  C1x C    48.9520  -17.3287
            36  C1a C    47.4095  -19.3621
            37  C1a C    48.4611  -19.2218
            38  C1x C    47.7600  -15.2254
            39  C1a C    45.3061  -15.2254
            40  C1x C    48.9520  -15.9265
            41  O2a O    19.8554  -20.0632
            42  C1y C    18.6082  -20.7228
            43  O2x O    17.4428  -20.0624
            44  C1y C    16.1956  -20.7219
            45  C1y C    16.2276  -22.1239
            46  C1y C    17.4500  -22.8252
            47  C1y C    18.6402  -22.1247
            48  C1b C    14.9732  -20.0206
            49  O7a O    13.7831  -20.7212
            50  O1a O    14.9930  -22.8579
            51  O1a O    19.8663  -22.8072
            52  O1a O    17.4578  -24.2376
            53  C7a C    12.5377  -20.0166
            54  O6a O    12.5305  -18.5943
            55  C1b C    11.3194  -20.7311
            56  C1b C    10.1311  -20.0557
            57  C1b C     8.9472  -20.7500
            58  C1b C     7.7427  -20.0653
            59  C1c C     6.5668  -20.7547
            60  C1a C     5.3583  -20.0676
            61  C1a C     6.5763  -22.1485
            62  C1b C     8.9472  -20.7500
            63  C1b C     8.9472  -20.7500
            64  C1b C     8.9472  -20.7500
            65  C1b C     8.9472  -20.7500
            66  C1b C     8.9472  -20.7500
BOND        68
            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   41  42 1
            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  65 1
            67   65  66 1
            68   66  58 1
BRACKET     1     8.3300  -21.6300    8.3300  -19.3900
            1     9.4500  -19.3900    9.4500  -21.6300
            1  6
 ORIGINAL  1   57
 REPEAT    1   62  63  64  65  66

» Japanese version

DBGET integrated database retrieval system