KEGG   COMPOUND: C08238
Entry
C08238                      Compound                               
Name
alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;
Ajugose
Formula
C36H62O31
Exact mass
990.3275
Mol weight
990.8589
Structure
Other DBs
CAS: 512-72-1
PubChem: 10437
ChEBI: 28554
KNApSAcK: C00001133
NIKKAJI: J83.329K
LinkDB
KCF data

ATOM        67
            1   C1z C    36.6474  -13.2939
            2   O2a O    35.2333  -14.1093
            3   O2x O    37.7415  -12.4785
            4   C1y C    37.0396  -14.6050
            5   C1b C    35.6667  -12.3958
            6   C1y C    34.0874  -14.9044
            7   C1y C    38.8563  -13.2939
            8   C1y C    38.4333  -14.6050
            9   O1a O    36.2654  -15.7198
            10  O1a O    34.3766  -13.0463
            11  O2x O    32.8798  -14.2437
            12  C1y C    34.0874  -16.2978
            13  C1b C    39.9301  -12.5404
            14  O1a O    39.2383  -15.7198
            15  C1y C    31.6926  -14.9044
            16  C1y C    32.8798  -16.9893
            17  O1a O    35.2641  -16.9893
            18  O1a O    40.9209  -13.3145
            19  C1b C    30.4952  -14.2437
            20  C1y C    31.6926  -16.2978
            21  O1a O    32.8798  -18.3726
            22  O2a O    29.1122  -15.0280
            23  O1a O    30.4952  -16.8493
            24  C1y C    27.7394  -15.7920
            25  O2x O    26.5420  -15.1106
            26  C1y C    27.7394  -17.1546
            27  C1y C    25.3548  -15.7920
            28  C1y C    26.5420  -17.8566
            29  O1a O    28.9263  -17.8566
            30  C1b C    24.1472  -15.0900
            31  C1y C    25.3548  -17.1546
            32  O1a O    26.5420  -19.2294
            33  O2a O    22.9292  -15.7920
            34  O1a O    24.1472  -17.8566
            35  C1y C    21.4734  -16.7415
            36  O2x O    20.2967  -16.0605
            37  C1y C    21.4734  -18.1353
            38  C1y C    19.0891  -16.7415
            39  C1y C    20.2967  -18.8267
            40  O1a O    22.6708  -18.8267
            41  C1b C    17.9124  -16.0605
            42  C1y C    19.0891  -18.1353
            43  O1a O    20.2967  -20.1894
            44  O2a O    16.6428  -16.8139
            45  O1a O    17.9124  -18.6867
            46  C1y C    15.2904  -17.5880
            47  O2x O    14.0930  -16.8965
            48  C1y C    15.2904  -18.9609
            49  C1y C    12.8749  -17.5880
            50  C1y C    14.0930  -19.6628
            51  O1a O    16.4776  -19.6628
            52  C1b C    11.6982  -16.8965
            53  C1y C    12.8749  -18.9609
            54  O1a O    14.0930  -21.0461
            55  O2a O    10.3874  -17.7326
            56  O1a O    11.6982  -19.5228
            57  C1y C     9.0559  -18.5067
            58  O2x O     7.8686  -17.8152
            59  C1y C     9.0559  -19.8796
            60  C1y C     6.6712  -18.5067
            61  C1y C     7.8686  -20.5609
            62  O1a O    10.2221  -20.5609
            63  C1y C     6.6712  -19.8796
            64  C1b C     5.4739  -17.8152
            65  O1a O     7.8686  -21.9543
            66  O1a O     5.4739  -20.5609
            67  O1a O     4.1732  -18.5067
BOND        72
            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 #Up
            52   49  53 1
            53   50  54 1 #Up
            54   52  55 1
            55   53  56 1 #Up
            56   57  55 1 #Down
            57   57  58 1
            58   57  59 1
            59   58  60 1
            60   59  61 1
            61   59  62 1 #Down
            62   60  63 1
            63   60  64 1 #Up
            64   61  65 1 #Up
            65   63  66 1 #Up
            66   64  67 1
            67    7   8 1
            68   16  20 1
            69   28  31 1
            70   39  42 1
            71   50  53 1
            72   61  63 1

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