KEGG   COMPOUND: C12095Help
Entry
C12095                      Compound                               

Name
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside
Formula
C30H27O13
Exact mass
595.1452
Mol weight
595.5276
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Anthocyanin biosynthesis
Enzyme
2.3.1.215       2.4.1.298
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C12095  Cyanidin 3-O-(6-O-p-coumaroyl)glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C12095  Cyanidin 3-O-(6-O-p-coumaroyl)glucoside
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        43
            1   C1b C    29.4533  -34.7841
            2   O7a O    28.2442  -35.4851
            3   C7a C    28.2309  -36.8783
            4   C2b C    27.0141  -37.5655
            5   O6a O    29.4344  -37.5886
            6   C2b C    27.0028  -38.9605
            7   C8y C    25.7871  -39.6494
            8   C8x C    24.5895  -38.9386
            9   C8x C    23.3736  -39.6275
            10  C8y C    23.3624  -41.0250
            11  C8x C    24.5669  -41.7334
            12  C8x C    25.7828  -41.0445
            13  O1a O    22.1465  -41.7139
            14  C8y C    25.8260  -28.4816
            15  C8y C    25.8201  -29.8835
            16  C8y C    27.0468  -27.7807
            17  O2x O    24.6169  -27.7690 #+
            18  O2a O    26.9240  -30.5201
            19  C8x C    24.6052  -30.5785
            20  C8x C    28.2617  -28.4874
            21  C8x C    27.0468  -26.3730
            22  C8y C    23.3961  -28.4699
            23  C1y C    28.2383  -31.2911
            24  C8y C    23.3902  -29.8718
            25  C8y C    29.4825  -27.7864
            26  C8x C    28.2676  -25.6721
            27  C8x C    22.1811  -27.7632
            28  O2x O    28.2383  -32.6871
            29  C1y C    29.4533  -30.5902
            30  C8y C    22.1811  -30.5727
            31  C8y C    29.4882  -26.3788
            32  O1a O    30.6916  -28.4874
            33  C8y C    20.9662  -28.4699
            34  C1y C    29.4533  -33.3880
            35  C1y C    30.6565  -31.2911
            36  O1a O    29.4533  -29.4042
            37  C8x C    20.9662  -29.8718
            38  O1a O    30.6974  -25.6838
            39  O1a O    19.7571  -27.7749
            40  C1y C    30.6565  -32.6871
            41  O1a O    31.8714  -30.5902
            42  O1a O    31.8714  -33.3823
            43  O1a O    22.1824  -31.9702
BOND        47
            1     2   3 1
            2     3   4 1
            3     3   5 2
            4     4   6 2
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10   12   7 1
            11   10  13 1
            12    6   7 1
            13    1   2 1
            14   29  36 1 #Down
            15   30  37 2
            16   31  38 1
            17   33  39 1
            18   34  40 1
            19   34   1 1 #Up
            20   35  41 1 #Up
            21   40  42 1 #Down
            22   22  24 2
            23   26  31 1
            24   33  37 1
            25   35  40 1
            26   14  15 1
            27   14  16 1
            28   14  17 2
            29   15  18 1
            30   15  19 2
            31   16  20 2
            32   16  21 1
            33   17  22 1
            34   23  18 1 #Up
            35   19  24 1
            36   30  43 1
            37   20  25 1
            38   21  26 2
            39   22  27 1
            40   23  28 1
            41   23  29 1
            42   24  30 1
            43   25  31 2
            44   25  32 1
            45   27  33 2
            46   28  34 1
            47   29  35 1

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