KEGG   COMPOUND: C12643Help
Entry
C12643                      Compound                               

Name
Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside);
Cyanidin 3-O-(6'-O-malonylglucoside);
Cyanidin-3-(6'-malonylglucoside)
Formula
C24H23O14
Exact mass
535.1088
Mol weight
535.431
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Anthocyanin biosynthesis
Enzyme
2.3.1.171       2.3.1.-         2.4.1.254
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C12643  Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)
BRITE hierarchy
Other DBs
CAS: 
171828-62-9
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        38
            1   C8y C    25.8259  -31.5541
            2   C8y C    25.8200  -32.9553
            3   C8y C    27.0461  -30.8535
            4   O2x O    24.6174  -30.8418 #+
            5   O2a O    26.9234  -33.5916
            6   C8x C    24.6057  -33.6500
            7   C8x C    28.2604  -31.5598
            8   C8x C    27.0461  -29.4465
            9   C8y C    23.3972  -31.5424
            10  C1y C    28.2370  -34.3623
            11  C8y C    23.3912  -32.9436
            12  C8y C    29.4806  -30.8592
            13  C8x C    28.2663  -28.7459
            14  C8x C    22.1827  -30.8360
            15  O2x O    28.2370  -35.7575
            16  C1y C    29.4515  -33.6617
            17  C8y C    22.1827  -33.6442
            18  C8y C    29.4864  -29.4523
            19  C8y C    20.9684  -31.5424
            20  C1y C    29.4515  -36.4582
            21  C1y C    30.6541  -34.3623
            22  O1a O    29.4515  -32.4764
            23  C8x C    20.9684  -32.9436
            24  O1a O    22.1827  -35.0395
            25  O1a O    30.6949  -28.7576
            26  O1a O    19.7599  -30.8477
            27  C1y C    30.6541  -35.7575
            28  C1b C    29.4515  -37.8536
            29  O1a O    31.8684  -33.6617
            30  O1a O    31.8684  -36.4524
            31  O7a O    28.2430  -38.5542
            32  C7a C    27.0321  -37.8580
            33  C1b C    25.8237  -38.5584
            34  C6a C    24.6128  -37.8622
            35  O6a O    27.0295  -36.4612
            36  O6a O    24.6103  -36.4654
            37  O6a O    23.4043  -38.5628
            38  O1a O    30.6880  -31.5615
BOND        41
            1     3   8 1
            2     4   9 1
            3    10   5 1 #Up
            4     6  11 1
            5     7  12 1
            6     8  13 2
            7     9  14 1
            8    10  15 1
            9    10  16 1
            10   11  17 1
            11   12  18 2
            12   14  19 2
            13   15  20 1
            14   16  21 1
            15   16  22 1 #Down
            16   17  23 2
            17   17  24 1
            18   18  25 1
            19   19  26 1
            20   20  27 1
            21   20  28 1 #Up
            22   21  29 1 #Up
            23   27  30 1 #Down
            24   28  31 1
            25    9  11 2
            26   13  18 1
            27   19  23 1
            28   21  27 1
            29   31  32 1
            30    1   2 1
            31   32  33 1
            32    1   3 1
            33   33  34 1
            34    1   4 2
            35   32  35 2
            36    2   5 1
            37   34  36 1
            38    2   6 2
            39   34  37 2
            40    3   7 2
            41   12  38 1

» Japanese version

DBGET integrated database retrieval system