KEGG   COMPOUND: C20472
Entry
C20472                      Compound                               

Name
Anthocyanidin 3-O-[2-O-(4-coumaroyl)-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]
Formula
C36H35O16R2
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 163312209
KCF data

ATOM        54
            1   C8x C    12.4600  -24.0100
            2   C8y C    12.4600  -25.4100
            3   C8x C    13.6724  -26.1100
            4   C8x C    14.8849  -25.4100
            5   C8y C    14.8849  -24.0100
            6   C8x C    13.6724  -23.3100
            7   O1a O    11.2476  -26.1100
            8   C2b C    16.1160  -23.2990
            9   C2b C    17.3212  -23.9947
            10  C7a C    18.5035  -23.3119
            11  O6a O    19.6975  -24.0012
            12  C8y C    18.4684  -13.3548
            13  C8y C    18.4627  -14.7515
            14  C8y C    19.6833  -12.6680
            15  O2x O    17.2711  -12.6446 #+
            16  C8x C    17.2593  -15.4382
            17  O2a O    19.8300  -15.5321
            18  C8x C    20.8746  -13.3722
            19  C8x C    19.6833  -11.2829
            20  C8y C    16.0562  -13.3430
            21  C8y C    16.0503  -14.7456
            22  C1y C    21.1739  -16.4358
            23  C8y C    22.1478  -12.6857
            24  C8y C    20.8922  -10.5964
            25  C8x C    14.8473  -12.6387
            26  C8y C    14.8473  -15.4324
            27  O2x O    21.1973  -17.8269
            28  C1y C    22.4064  -15.7845
            29  C8y C    22.0895  -11.3007
            30  C8y C    13.6383  -13.3430
            31  C8x C    13.6383  -14.7456
            32  O1a O    14.8473  -16.8350
            33  C1y C    22.3067  -18.5662
            34  C1y C    23.5861  -16.5239
            35  O1a O    22.4592  -14.3994
            36  O1a O    23.2985  -10.6081
            37  O1a O    12.4292  -12.6387
            38  C1b C    22.2537  -19.9513
            39  C1y C    23.5333  -17.9148
            40  O1a O    24.8127  -15.8724
            41  O2a O    21.0918  -20.5968
            42  O1a O    24.7070  -18.6602
            43  C1y C    19.7710  -19.7400
            44  C1y C    18.4742  -20.3857
            45  O2x O    19.7537  -18.3492
            46  C1y C    17.3765  -19.6461
            47  O7a O    18.4972  -21.8407
            48  C1y C    18.5741  -17.6097
            49  C1y C    17.3532  -18.2670
            50  O1a O    16.0739  -20.3034
            51  C1a C    18.5569  -16.2186
            52  O1a O    16.1678  -17.8786
            53  R   R    20.8336   -9.1707
            54  R   R    23.3370  -13.3620
BOND        59
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   12  13 1
            13   12  14 1
            14   12  15 2
            15   13  16 2
            16   13  17 1
            17   14  18 2
            18   14  19 1
            19   15  20 1
            20   16  21 1
            21   22  17 1 #Up
            22   18  23 1
            23   19  24 2
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   22  28 1
            28   23  29 2
            29   25  30 2
            30   26  31 2
            31   26  32 1
            32   27  33 1
            33   28  34 1
            34   28  35 1 #Down
            35   29  36 1
            36   30  37 1
            37   33  38 1 #Up
            38   33  39 1
            39   34  40 1 #Up
            40   38  41 1
            41   39  42 1 #Down
            42   43  41 1 #Up
            43   43  44 1
            44   43  45 1
            45   44  46 1
            46   44  47 1 #Down
            47   45  48 1
            48   46  49 1
            49   46  50 1 #Down
            50   48  51 1 #Down
            51   49  52 1 #Up
            52   20  21 2
            53   24  29 1
            54   30  31 1
            55   34  39 1
            56   48  49 1
            57   24  53 1
            58   23  54 1
            59   10  47 1

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