KEGG   COMPOUND: C16304
Entry
C16304                      Compound                               

Name
Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside;
Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside
Formula
C30H33O20
Exact mass
713.1565
Mol weight
713.571
Structure
Reaction
Pathway
map00942  Anthocyanin biosynthesis
Enzyme
2.4.1.238       2.4.1.249
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16304  Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C16304  Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated delphinidin
    C16304  Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside
Other DBs
PubChem: 47205612
ChEBI: 55336
NIKKAJI: J1.830.378G
LinkDB
KCF data

ATOM        50
            1   C8y C    33.5300  -29.6800
            2   C8x C    33.5300  -31.1500
            3   C8y C    34.7200  -31.8500
            4   C8y C    35.9800  -31.1500
            5   C8y C    35.9800  -29.6800
            6   C8x C    34.7200  -28.9800
            7   C8x C    37.1700  -31.8500
            8   C8y C    38.3600  -31.1500
            9   C8y C    38.3600  -29.6800
            10  O2x O    37.1700  -28.9800 #+
            11  C8y C    39.5500  -28.9800
            12  C8x C    40.7400  -29.6800
            13  C8y C    42.0000  -28.9800
            14  C8y C    42.0000  -27.5800
            15  C8y C    40.8100  -26.8800
            16  C8x C    39.5500  -27.5800
            17  O2a O    40.8100  -25.4800
            18  O1a O    43.1200  -26.8800
            19  O1a O    43.1200  -29.6800
            20  O1a O    34.7200  -33.2500
            21  O1a O    32.3400  -28.9800
            22  O2a O    39.5500  -31.8500
            23  C1y C    39.6200  -24.7800
            24  O2x O    39.6200  -23.3800
            25  C1y C    38.4300  -22.6800
            26  C1y C    37.1700  -23.3800
            27  C1y C    37.1700  -24.7800
            28  C1y C    38.4300  -25.4800
            29  C1b C    38.4300  -21.2800
            30  O1a O    39.6200  -20.6500
            31  O1a O    35.9800  -22.6800
            32  O1a O    35.9800  -25.4800
            33  O1a O    38.4300  -26.8800
            34  C1y C    40.7400  -32.5500
            35  C1y C    40.7400  -33.8800
            36  C1y C    41.9300  -34.5800
            37  C1y C    43.1900  -33.8800
            38  C1y C    43.1900  -32.5500
            39  O2x O    41.9300  -31.8500
            40  C1b C    44.3800  -31.8500
            41  O7a O    45.5700  -32.5500
            42  O1a O    44.3800  -34.5800
            43  O1a O    41.9300  -35.9800
            44  O1a O    39.4800  -34.6500
            45  C7a C    46.8300  -31.8500
            46  C1b C    48.0200  -32.5500
            47  O6a O    46.8300  -30.3800
            48  C6a C    49.2800  -31.8500
            49  O6a O    50.4700  -32.5500
            50  O6a O    49.2800  -30.4500
BOND        54
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   15  17 1
            20   14  18 1
            21   13  19 1
            22    3  20 1
            23    1  21 1
            24    8  22 1
            25   23  17 1 #Up
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1
            32   25  29 1 #Up
            33   29  30 1
            34   26  31 1 #Down
            35   27  32 1 #Up
            36   28  33 1 #Down
            37   34  22 1 #Down
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   34  39 1
            44   38  40 1 #Down
            45   40  41 1
            46   37  42 1 #Up
            47   36  43 1 #Down
            48   35  44 1 #Up
            49   41  45 1
            50   45  46 1
            51   45  47 2
            52   46  48 1
            53   48  49 1
            54   48  50 2

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