KEGG   COMPOUND: C16292
Entry
C16292                      Compound                               
Name
Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Formula
C42H47O22
Exact mass
903.2559
Mol weight
903.8094
Structure
Reaction
Pathway
map00942  Anthocyanin biosynthesis
Enzyme
2.1.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16292  Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C16292  Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated cyanidin
    C16292  Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Other DBs
PubChem: 47205600
ChEBI: 80428
LIPIDMAPS: LMPK12010188
NIKKAJI: J2.799.413J
LinkDB
KCF data

ATOM        64
            1   C8y C    33.5587  -27.2002
            2   C8y C    33.5587  -25.7962
            3   C8x C    32.4355  -25.0942
            4   C8y C    31.1719  -25.7962
            5   C8x C    31.1719  -27.2002
            6   C8y C    32.4355  -27.9021
            7   C8x C    34.6818  -27.9021
            8   C8y C    35.9454  -27.2002
            9   C8y C    35.9454  -25.7962
            10  O2x O    34.6818  -25.0942 #+
            11  O2a O    32.4355  -29.3060
            12  O1a O    29.9786  -25.0942
            13  C8y C    37.1386  -25.0942
            14  C8x C    38.3320  -25.7962
            15  C8y C    39.5956  -25.0942
            16  C8y C    39.5956  -23.6903
            17  C8x C    38.4022  -22.9884
            18  C8x C    37.1386  -23.6903
            19  O1a O    40.7889  -22.9884
            20  O2a O    37.1386  -27.9021
            21  C1y C    31.2422  -30.0081
            22  O2x O    30.0488  -29.3060
            23  C1y C    28.7852  -30.0081
            24  C1y C    28.7852  -31.4822
            25  C1y C    29.9786  -32.1842
            26  C1y C    31.2422  -31.4822
            27  C1b C    27.5217  -29.3060
            28  O1a O    26.3283  -30.0081
            29  O1a O    27.5217  -32.1842
            30  O1a O    29.9786  -33.5881
            31  O1a O    32.4355  -32.1842
            32  C1y C    38.4022  -28.6041
            33  C1y C    38.4022  -29.9379
            34  C1y C    39.5956  -30.6398
            35  C1y C    40.7889  -29.9379
            36  C1y C    40.7889  -28.6041
            37  O2x O    39.5956  -27.9021
            38  O1a O    42.0525  -30.6398
            39  O1a O    37.1386  -30.7100
            40  C1b C    42.0525  -27.9021
            41  O1a O    39.5956  -32.0437
            42  O2a O    43.2459  -28.5339
            43  C1y C    44.4392  -27.9021
            44  C1y C    45.6326  -28.5339
            45  C1y C    46.8259  -27.8319
            46  C1y C    46.8259  -26.4280
            47  C1y C    45.6326  -25.7962
            48  O2x O    44.4392  -26.4982
            49  C1a C    45.6326  -24.3923
            50  O7a O    48.0193  -25.7261
            51  O1a O    48.0193  -28.6041
            52  O1a O    45.6326  -29.9379
            53  C7a C    49.2125  -26.4982
            54  C2b C    50.4761  -25.7962
            55  C2b C    51.6695  -26.4982
            56  C8y C    52.8628  -25.7962
            57  O6a O    49.2125  -27.9021
            58  C8x C    54.0562  -26.4280
            59  C8x C    55.3198  -25.7261
            60  C8y C    55.3198  -24.3221
            61  C8x C    54.1264  -23.6903
            62  C8x C    52.8628  -24.3923
            63  O1a O    56.5131  -23.6201
            64  O1a O    40.8048  -25.8059
BOND        70
            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   32  20 1 #Down
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   32  37 1
            42   35  38 1 #Up
            43   33  39 1 #Up
            44   36  40 1 #Down
            45   34  41 1 #Down
            46   40  42 1
            47   43  42 1 #Down
            48   43  44 1
            49   44  45 1
            50   45  46 1
            51   46  47 1
            52   47  48 1
            53   43  48 1
            54   47  49 1 #Up
            55   46  50 1 #Down
            56   45  51 1 #Up
            57   44  52 1 #Up
            58   50  53 1
            59   53  54 1
            60   54  55 2
            61   55  56 1
            62   53  57 2
            63   56  58 2
            64   58  59 1
            65   59  60 2
            66   60  61 1
            67   61  62 2
            68   56  62 1
            69   60  63 1
            70   15  64 1

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