KEGG   COMPOUND: C08252
Entry
C08252                      Compound                               
Name
Verbascose;
beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside
Formula
C30H52O26
Exact mass
828.2747
Mol weight
828.7183
Structure
Other DBs
CAS: 546-62-3
PubChem: 10451
ChEBI: 28586
KNApSAcK: C00001154
NIKKAJI: J16.156J
LinkDB
KCF data

ATOM        56
            1   C1z C    38.8957  -16.1958
            2   O2a O    37.6403  -17.0184
            3   O2x O    40.0126  -15.3994
            4   C1y C    39.3286  -17.5033
            5   C1b C    37.9780  -15.0702
            6   C1y C    36.3502  -17.9015
            7   C1y C    41.1036  -16.1958
            8   C1y C    40.6880  -17.5033
            9   O1a O    38.5148  -18.6116
            10  O1a O    36.5061  -15.7715
            11  O2x O    35.1814  -17.2175
            12  C1y C    36.3502  -19.2694
            13  C1b C    42.3936  -15.7283
            14  O1a O    41.4759  -18.6116
            15  C1y C    33.9952  -17.9015
            16  C1y C    35.1814  -19.9449
            17  O1a O    37.5278  -19.9449
            18  O1a O    43.4068  -16.6980
            19  C1b C    32.6444  -17.1397
            20  C1y C    33.9952  -19.2694
            21  O1a O    35.1814  -21.3128
            22  O2a O    31.3889  -17.9276
            23  O1a O    32.8264  -19.9449
            24  C1y C    29.8997  -18.7414
            25  O2x O    28.7224  -18.0574
            26  C1y C    29.8997  -20.1093
            27  C1y C    27.5448  -18.7414
            28  C1y C    28.7224  -20.7847
            29  O1a O    31.0773  -20.7847
            30  C1b C    26.3759  -18.0574
            31  C1y C    27.5448  -20.1093
            32  O1a O    28.7224  -22.1441
            33  O2a O    25.1464  -18.8453
            34  O1a O    26.3759  -20.7847
            35  C1y C    23.7958  -19.6506
            36  O2x O    22.6181  -18.9751
            37  C1y C    23.7958  -21.0097
            38  C1y C    21.4408  -19.6506
            39  C1y C    22.6181  -21.7025
            40  O1a O    24.9560  -21.7025
            41  C1b C    20.2720  -18.9751
            42  C1y C    21.4408  -21.0097
            43  O1a O    22.6181  -23.0531
            44  O2a O    19.0512  -19.7631
            45  O1a O    20.2720  -21.7025
            46  C1y C    17.7696  -20.5856
            47  O2x O    16.5835  -19.9190
            48  C1y C    17.7696  -21.9450
            49  C1y C    15.4147  -20.5856
            50  C1y C    16.5835  -22.6290
            51  O1a O    18.9299  -22.6290
            52  C1y C    15.4147  -21.9450
            53  C1b C    14.2371  -19.9190
            54  O1a O    16.5835  -23.9884
            55  O1a O    14.2371  -22.6290
            56  O1a O    12.5834  -20.5856
BOND        60
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     6   2 1 #Down
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1 #Down
            13    8  14 1 #Up
            14   11  15 1
            15   12  16 1
            16   12  17 1 #Down
            17   13  18 1
            18   15  19 1 #Up
            19   15  20 1
            20   16  21 1 #Up
            21   19  22 1
            22   20  23 1 #Down
            23   24  22 1 #Down
            24   24  25 1
            25   24  26 1
            26   25  27 1
            27   26  28 1
            28   26  29 1 #Down
            29   27  30 1 #Up
            30   27  31 1
            31   28  32 1 #Up
            32   30  33 1
            33   31  34 1 #Up
            34   35  33 1 #Down
            35   35  36 1
            36   35  37 1
            37   36  38 1
            38   37  39 1
            39   37  40 1 #Down
            40   38  41 1 #Up
            41   38  42 1
            42   39  43 1 #Up
            43   41  44 1
            44   42  45 1 #Up
            45   46  44 1 #Down
            46   46  47 1
            47   46  48 1
            48   47  49 1
            49   48  50 1
            50   48  51 1 #Down
            51   49  52 1
            52   49  53 1 #Up
            53   50  54 1 #Up
            54   52  55 1 #Up
            55   53  56 1
            56    7   8 1
            57   16  20 1
            58   28  31 1
            59   39  42 1
            60   50  52 1

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