KEGG   COMPOUND: C16295
Entry
C16295                      Compound                               
Name
Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Formula
C43H49O23
Exact mass
933.2665
Mol weight
933.8354
Structure
Reaction
Pathway
map00942  Anthocyanin biosynthesis
Enzyme
2.1.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16295  Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C16295  Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated delphinidin
    C16295  Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Other DBs
PubChem: 47205603
ChEBI: 80431
LIPIDMAPS: LMPK12010362
NIKKAJI: J949.113I
LinkDB
KCF data

ATOM        66
            1   C8y C    34.1600  -32.4800
            2   C8y C    34.1600  -31.0800
            3   C8x C    33.0400  -30.3800
            4   C8y C    31.7800  -31.0800
            5   C8x C    31.7800  -32.4800
            6   C8y C    33.0400  -33.1800
            7   C8x C    35.2800  -33.1800
            8   C8y C    36.5400  -32.4800
            9   C8y C    36.5400  -31.0800
            10  O2x O    35.2800  -30.3800 #+
            11  O2a O    33.0400  -34.5800
            12  O1a O    30.5900  -30.3800
            13  C8y C    37.7300  -30.3800
            14  C8x C    38.9200  -31.0800
            15  C8y C    40.1800  -30.3800
            16  C8y C    40.1800  -28.9800
            17  C8y C    38.9900  -28.2800
            18  C8x C    37.7300  -28.9800
            19  O1a O    41.3700  -28.2800
            20  O2a O    37.7300  -33.1800
            21  C1y C    31.8500  -35.2800
            22  O2x O    30.6600  -34.5800
            23  C1y C    29.4000  -35.2800
            24  C1y C    29.4000  -36.7500
            25  C1y C    30.5900  -37.4500
            26  C1y C    31.8500  -36.7500
            27  C1b C    28.1400  -34.5800
            28  O1a O    26.9500  -35.2800
            29  O1a O    28.1400  -37.4500
            30  O1a O    30.5900  -38.8500
            31  O1a O    33.0400  -37.4500
            32  O2a O    41.3700  -31.1500
            33  O1a O    38.9900  -26.8800
            34  C1a C    42.6300  -30.4500
            35  C1y C    38.9900  -33.8800
            36  C1y C    38.9900  -35.2100
            37  C1y C    40.1800  -35.9100
            38  C1y C    41.3700  -35.2100
            39  C1y C    41.3700  -33.8800
            40  O2x O    40.1800  -33.1800
            41  O1a O    42.6300  -35.9100
            42  O1a O    37.7300  -35.9800
            43  C1b C    42.6300  -33.1800
            44  O1a O    40.1800  -37.3100
            45  O2a O    43.8200  -33.8100
            46  C1y C    45.0100  -33.1800
            47  C1y C    46.2000  -33.8100
            48  C1y C    47.3900  -33.1100
            49  C1y C    47.3900  -31.7100
            50  C1y C    46.2000  -31.0800
            51  O2x O    45.0100  -31.7800
            52  C1a C    46.2000  -29.6800
            53  O7a O    48.5800  -31.0100
            54  O1a O    48.5800  -33.8800
            55  O1a O    46.2000  -35.2100
            56  C7a C    49.7700  -31.7800
            57  C2b C    51.0300  -31.0800
            58  C2b C    52.2200  -31.7800
            59  C8y C    53.4100  -31.0800
            60  O6a O    49.7700  -33.1800
            61  C8x C    54.6000  -31.7100
            62  C8x C    55.8600  -31.0100
            63  C8y C    55.8600  -29.6100
            64  C8x C    54.6700  -28.9800
            65  C8x C    53.4100  -29.6800
            66  O1a O    57.0500  -28.9100
BOND        72
            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   32  34 1
            38   35  20 1 #Down
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   35  40 1
            45   38  41 1 #Up
            46   36  42 1 #Up
            47   39  43 1 #Down
            48   37  44 1 #Down
            49   43  45 1
            50   46  45 1 #Down
            51   46  47 1
            52   47  48 1
            53   48  49 1
            54   49  50 1
            55   50  51 1
            56   46  51 1
            57   50  52 1 #Up
            58   49  53 1 #Down
            59   48  54 1 #Up
            60   47  55 1 #Up
            61   53  56 1
            62   56  57 1
            63   57  58 2
            64   58  59 1
            65   56  60 2
            66   59  61 2
            67   61  62 1
            68   62  63 2
            69   63  64 1
            70   64  65 2
            71   59  65 1
            72   63  66 1

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