KEGG   COMPOUND: C08718Help
Entry
C08718                      Compound                               

Name
Malvin
Formula
C29H35O17
Exact mass
655.1874
Mol weight
655.578
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C08718  Malvin
BRITE hierarchy
Other DBs
CAS: 16727-30-3
PubChem: 10911
ChEBI: 75030
KNApSAcK: C00002384
3DMET: B02351
NIKKAJI: J294.526F
LinkDB All DBs
KCF data Show

ATOM        46
            1   C8y C    28.1785  -18.6864
            2   C8y C    28.2369  -20.0866
            3   C8y C    29.3813  -18.0007
            4   O2x O    26.9699  -17.9834 #+
            5   C8x C    26.9582  -20.7722
            6   O2a O    29.3697  -20.7839
            7   C8x C    30.5781  -18.7037
            8   C8x C    29.3870  -16.6121
            9   C8y C    25.7555  -18.6690
            10  C8y C    25.7497  -20.0692
            11  C1y C    30.7699  -21.6904
            12  C8y C    31.7868  -18.0124
            13  C8y C    30.5898  -15.9206
            14  C8x C    24.5470  -17.9775
            15  C8y C    24.5470  -20.7722
            16  O2x O    30.8283  -23.0733
            17  C1y C    31.9784  -20.9989
            18  C8y C    31.7925  -16.6237
            19  O2a O    32.9837  -18.7153
            20  O2a O    30.6014  -14.5320
            21  C8y C    23.3326  -18.6690
            22  O2a O    24.5470  -22.1319
            23  C8x C    23.3326  -20.0750
            24  C1y C    31.9610  -23.7763
            25  C1y C    33.1754  -21.7020
            26  O1a O    31.9843  -19.6103
            27  O1a O    33.0010  -15.9381
            28  C1a C    34.1922  -18.0297
            29  C1a C    29.3986  -13.8347
            30  O1a O    22.1298  -17.9717
            31  C1y C    23.2163  -22.9687
            32  C1y C    33.1638  -23.0964
            33  C1b C    31.9494  -25.1708
            34  O1a O    34.3839  -21.0164
            35  O2x O    22.0195  -22.2714
            36  C1y C    23.2163  -24.3573
            37  O1a O    34.3666  -23.7995
            38  O1a O    30.7409  -25.8564
            39  C1y C    20.8110  -22.9687
            40  C1y C    22.0195  -25.0545
            41  O1a O    24.4250  -25.0545
            42  C1y C    20.8110  -24.3573
            43  C1b C    19.6082  -22.2714
            44  O1a O    22.0195  -26.4433
            45  O1a O    19.6082  -25.0545
            46  O1a O    18.4054  -22.9687
BOND        50
            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   13  20 1
            20   14  21 2
            21   15  22 1
            22   15  23 2
            23   16  24 1
            24   17  25 1
            25   17  26 1 #Down
            26   18  27 1
            27   19  28 1
            28   20  29 1
            29   21  30 1
            30   31  22 1 #Up
            31   24  32 1
            32   24  33 1 #Up
            33   25  34 1 #Up
            34   31  35 1
            35   31  36 1
            36   32  37 1 #Down
            37   33  38 1
            38   35  39 1
            39   36  40 1
            40   36  41 1 #Down
            41   39  42 1
            42   39  43 1 #Up
            43   40  44 1 #Up
            44   42  45 1 #Down
            45   43  46 1
            46    9  10 2
            47   13  18 1
            48   21  23 1
            49   25  32 1
            50   40  42 1

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