KEGG   COMPOUND: C17465
Entry
C17465                      Compound                               
Name
Parishin B
Formula
C32H40O19
Exact mass
728.2164
Mol weight
728.6486
Structure
Other DBs
PubChem: 96023813
ChEBI: 81108
NIKKAJI: J737.406B
LinkDB
KCF data

ATOM        51
            1   C1y C    17.3426  -19.9871
            2   O2x O    16.0846  -19.2883
            3   C1y C    17.3426  -21.3851
            4   O2a O    18.5308  -19.2883
            5   C1y C    14.8965  -19.9871
            6   C1y C    16.0846  -22.0840
            7   O1a O    18.5308  -22.0840
            8   C8y C    19.7189  -19.9871
            9   C1y C    14.8965  -21.3851
            10  C1b C    13.6383  -19.2883
            11  O1a O    16.0846  -23.4819
            12  C8x C    19.7189  -21.3851
            13  C8x C    20.9072  -19.2883
            14  O1a O    13.6383  -22.0840
            15  O1a O    12.4501  -19.9871
            16  C8x C    20.9072  -22.0840
            17  C8x C    22.1652  -19.9871
            18  C8y C    22.1652  -21.3851
            19  C1b C    23.3700  -22.0940
            20  O7a O    24.5778  -21.4097
            21  C7a C    25.7963  -22.1269
            22  C1d C    27.0037  -21.4437
            23  O6a O    25.8541  -23.5516
            24  C1b C    28.2012  -22.1490
            25  C1b C    27.0154  -20.0574
            26  C7a C    29.3965  -21.4725
            27  O7a O    30.5693  -22.1631
            28  O6a O    29.3965  -20.0746
            29  C1b C    31.7769  -21.4796
            30  C8y C    32.9949  -22.1974
            31  C8x C    32.9823  -23.6215
            32  C8x C    34.2565  -24.3311
            33  C8y C    35.4032  -23.6430
            34  C8x C    35.4160  -22.2188
            35  C8x C    34.2117  -21.5091
            36  O2a O    36.5774  -24.3347
            37  C1y C    37.8594  -23.6492
            38  O2x O    39.0746  -24.3658
            39  C1y C    40.2213  -23.6777
            40  C1y C    40.2342  -22.2800
            41  C1y C    39.0887  -21.5635
            42  C1y C    37.8720  -22.2514
            43  C1b C    41.5003  -24.3506
            44  O1a O    42.7316  -23.6139
            45  O1a O    39.1349  -20.1980
            46  O1a O    41.4612  -21.5665
            47  O1a O    36.6084  -21.5287
            48  C6a C    25.8026  -19.3571
            49  O6a O    25.8026  -17.9564
            50  O6a O    24.5813  -20.0625
            51  O1a O    26.9920  -22.8197
BOND        54
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 2
            12    8  13 1
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 1
            16   13  17 2
            17   16  18 2
            18    6   9 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2
            25   22  24 1
            26   22  25 1
            27   24  26 1
            28   26  27 1
            29   26  28 2
            30   27  29 1
            31   29  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   30  35 1
            38   33  36 1
            39   37  36 1 #Up
            40   37  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   37  42 1
            46   39  43 1 #Up
            47   43  44 1
            48   41  45 1 #Up
            49   40  46 1 #Down
            50   42  47 1 #Down
            51   25  48 1
            52   48  49 1
            53   48  50 2
            54   22  51 1

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