KEGG   COMPOUND: C16294
Entry
C16294                      Compound                               
Name
Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Formula
C42H47O23
Exact mass
919.2508
Mol weight
919.8088
Structure
Reaction
Pathway
map00942  Anthocyanin biosynthesis
Enzyme
2.1.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16294  Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C16294  Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated delphinidin
    C16294  Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Other DBs
PubChem: 47205602
ChEBI: 80430
LIPIDMAPS: LMPK12010304
NIKKAJI: J2.041.098A
LinkDB
KCF data

ATOM        65
            1   C8y C    29.5559  -22.3488
            2   C8y C    29.5559  -20.9452
            3   C8x C    28.4331  -20.2434
            4   C8y C    27.1698  -20.9452
            5   C8x C    27.1698  -22.3488
            6   C8y C    28.4331  -23.0506
            7   C8x C    30.6788  -23.0506
            8   C8y C    31.9420  -22.3488
            9   C8y C    31.9420  -20.9452
            10  O2x O    30.6788  -20.2434 #+
            11  O2a O    28.4331  -24.4542
            12  O1a O    25.9768  -20.2434
            13  C8y C    33.1351  -20.2434
            14  C8x C    34.3281  -20.9452
            15  C8y C    35.5914  -20.2434
            16  C8y C    35.5914  -18.8398
            17  C8y C    34.3983  -18.1381
            18  C8x C    33.1351  -18.8398
            19  O1a O    36.7844  -18.1381
            20  O2a O    33.1351  -23.0506
            21  C1y C    27.2400  -25.1560
            22  O2x O    26.0470  -24.4542
            23  C1y C    24.7837  -25.1560
            24  C1y C    24.7837  -26.6298
            25  C1y C    25.9768  -27.3316
            26  C1y C    27.2400  -26.6298
            27  C1b C    23.5205  -24.4542
            28  O1a O    22.3275  -25.1560
            29  O1a O    23.5205  -27.3316
            30  O1a O    25.9768  -28.7351
            31  O1a O    28.4331  -27.3316
            32  O1a O    36.7844  -21.0154
            33  O1a O    34.3983  -16.7345
            34  C1y C    34.3983  -23.7524
            35  C1y C    34.3983  -25.0858
            36  C1y C    35.5914  -25.7876
            37  C1y C    36.7844  -25.0858
            38  C1y C    36.7844  -23.7524
            39  O2x O    35.5914  -23.0506
            40  O1a O    38.0477  -25.7876
            41  O1a O    33.1351  -25.8578
            42  C1b C    38.0477  -23.0506
            43  O1a O    35.5914  -27.1912
            44  O2a O    39.2407  -23.6822
            45  C1y C    40.4338  -23.0506
            46  C1y C    41.6268  -23.6822
            47  C1y C    42.8199  -22.9804
            48  C1y C    42.8199  -21.5768
            49  C1y C    41.6268  -20.9452
            50  O2x O    40.4338  -21.6470
            51  C1a C    41.6268  -19.5416
            52  O7a O    44.0129  -20.8750
            53  O1a O    44.0129  -23.7524
            54  O1a O    41.6268  -25.0858
            55  C7a C    45.2060  -21.6470
            56  C2b C    46.4692  -20.9452
            57  C2b C    47.6622  -21.6470
            58  C8y C    48.8553  -20.9452
            59  O6a O    45.2060  -23.0506
            60  C8x C    50.0483  -21.5768
            61  C8x C    51.3116  -20.8750
            62  C8y C    51.3116  -19.4715
            63  C8x C    50.1185  -18.8398
            64  C8x C    48.8553  -19.5416
            65  O1a O    52.5046  -18.7697
BOND        71
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    6  11 1
            13    4  12 1
            14    9  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22    8  20 1
            23   21  11 1 #Up
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   21  26 1
            30   23  27 1 #Up
            31   27  28 1
            32   24  29 1 #Down
            33   25  30 1 #Up
            34   26  31 1 #Down
            35   15  32 1
            36   17  33 1
            37   34  20 1 #Down
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   34  39 1
            44   37  40 1 #Up
            45   35  41 1 #Up
            46   38  42 1 #Down
            47   36  43 1 #Down
            48   42  44 1
            49   45  44 1 #Down
            50   45  46 1
            51   46  47 1
            52   47  48 1
            53   48  49 1
            54   49  50 1
            55   45  50 1
            56   49  51 1 #Up
            57   48  52 1 #Down
            58   47  53 1 #Up
            59   46  54 1 #Up
            60   52  55 1
            61   55  56 1
            62   56  57 2
            63   57  58 1
            64   55  59 2
            65   58  60 2
            66   60  61 1
            67   61  62 2
            68   62  63 1
            69   63  64 2
            70   58  64 1
            71   62  65 1

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