KEGG   COMPOUND: C08620Help
Entry
C08620                      Compound                               

Name
Cyanidin 3-O-rutinoside;
Cyanidin 3-O-rhamnosylglucoside;
Keracyanin
Formula
C27H31O15
Exact mass
595.1663
Mol weight
595.526
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Cyanidin 3-rutinoside chloride [CPD:C04491]
Reaction
Pathway
Anthocyanin biosynthesis
Enzyme
2.4.1.116       2.4.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C08620  Cyanidin 3-O-rutinoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C08620  Cyanidin 3-O-rutinoside
BRITE hierarchy
Other DBs
CAS: 
28338-59-2
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        42
            1   C8y C    28.6685  -14.1504
            2   C8y C    28.7326  -15.5428
            3   C8y C    29.8796  -13.4658
            4   O2x O    27.4749  -13.4424 #+
            5   C8x C    27.4632  -16.2273
            6   O2a O    30.0258  -16.3209
            7   C8x C    31.0672  -14.1678
            8   C8x C    29.8796  -12.0850
            9   C8y C    26.2638  -14.1387
            10  C8y C    26.2580  -15.5369
            11  C1y C    31.3655  -17.2218
            12  C8y C    32.2666  -13.4834
            13  C8x C    31.0847  -11.4006
            14  C8x C    25.0587  -13.4366
            15  C8y C    25.0587  -16.2215
            16  O2x O    31.3889  -18.6085
            17  C1y C    32.5942  -16.5725
            18  C8y C    32.2783  -12.1027
            19  O1a O    33.4660  -14.1855
            20  C8y C    23.8535  -14.1387
            21  C8x C    23.8535  -15.5369
            22  O1a O    25.0587  -17.6197
            23  C1y C    32.4948  -19.3455
            24  C1y C    33.7702  -17.3096
            25  O1a O    32.6468  -15.1918
            26  O1a O    33.4835  -11.4123
            27  O1a O    22.6482  -13.4366
            28  C1b C    32.4420  -20.7263
            29  C1y C    33.7176  -18.6962
            30  O1a O    34.9930  -16.6602
            31  O2a O    31.2837  -21.3698
            32  O1a O    34.8876  -19.4392
            33  C1y C    29.9670  -20.5157
            34  C1y C    28.6743  -21.1593
            35  O2x O    29.9498  -19.1292
            36  C1y C    27.5800  -20.4221
            37  O1a O    28.6274  -22.5400
            38  C1y C    28.7739  -18.3920
            39  C1y C    27.5568  -19.0473
            40  O1a O    26.2815  -21.0773
            41  C1a C    28.8265  -17.0053
            42  O1a O    26.3751  -18.6601
BOND        46
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10   11   6 1 #Up
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1
            17   12  18 2
            18   12  19 1
            19   14  20 2
            20   15  21 2
            21   15  22 1
            22   16  23 1
            23   17  24 1
            24   17  25 1 #Down
            25   18  26 1
            26   20  27 1
            27   23  28 1 #Up
            28   23  29 1
            29   24  30 1 #Up
            30   28  31 1
            31   29  32 1 #Down
            32   33  31 1 #Up
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   34  37 1 #Down
            37   35  38 1
            38   36  39 1
            39   36  40 1 #Down
            40   38  41 1 #Down
            41   39  42 1 #Up
            42    9  10 2
            43   13  18 1
            44   20  21 1
            45   24  29 1
            46   38  39 1

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