KEGG   COMPOUND: C16303
Entry
C16303                      Compound                               
Name
Ternatin C5;
Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3',5'-di-O-beta-D-glucoside
Formula
C36H43O25
Exact mass
875.2093
Mol weight
875.7116
Structure
Reaction
Pathway
map00942  Anthocyanin biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16303  Ternatin C5
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C16303  Ternatin C5
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated delphinidin
    C16303  Ternatin C5
Dietary phytochemicals [br08012.html]
 Flavonoids
  C16303
Other DBs
PubChem: 47205611
ChEBI: 55335
LIPIDMAPS: LMPK12010333
KNApSAcK: C00014808
NIKKAJI: J1.034.459J
LinkDB
KCF data

ATOM        61
            1   C8y C    34.1108  -28.9383
            2   C8x C    34.1108  -30.4062
            3   C8y C    35.2991  -31.1051
            4   C8y C    36.5573  -30.4062
            5   C8y C    36.5573  -28.9383
            6   C8x C    35.2991  -28.2393
            7   C8x C    37.7455  -31.1051
            8   C8y C    38.9338  -30.4062
            9   C8y C    38.9338  -28.9383
            10  O2x O    37.7455  -28.2393 #+
            11  C8y C    40.1221  -28.2393
            12  C8x C    41.3104  -28.9383
            13  C8y C    42.5686  -28.2393
            14  C8y C    42.5686  -26.8413
            15  C8y C    41.3803  -26.1423
            16  C8x C    40.1221  -26.8413
            17  O2a O    41.3803  -24.7443
            18  O1a O    43.7569  -26.1423
            19  O2a O    43.7569  -28.9383
            20  O1a O    35.2991  -32.5031
            21  O1a O    32.9225  -28.2393
            22  O2a O    40.1221  -31.1051
            23  C1y C    40.1920  -24.0453
            24  O2x O    40.1920  -22.6474
            25  C1y C    39.0037  -21.9484
            26  C1y C    37.7455  -22.6474
            27  C1y C    37.7455  -24.0453
            28  C1y C    39.0037  -24.7443
            29  C1b C    39.0037  -20.5504
            30  O1a O    40.1920  -19.9213
            31  O1a O    36.5573  -21.9484
            32  O1a O    36.5573  -24.7443
            33  O1a O    39.0037  -26.1423
            34  C1y C    44.9817  -28.2445
            35  C1y C    46.1936  -28.9578
            36  C1y C    47.4118  -28.2679
            37  C1y C    47.4236  -26.8680
            38  C1y C    46.2117  -26.1547
            39  O2x O    44.9934  -26.8445
            40  C1b C    46.2230  -24.7802
            41  O1a O    48.6072  -28.9717
            42  O1a O    48.6112  -26.1953
            43  O1a O    46.1816  -30.3799
            44  O1a O    47.4237  -24.0999
            45  C1y C    41.3346  -31.8051
            46  C1y C    41.3339  -33.1796
            47  C1y C    42.5461  -33.8801
            48  C1y C    43.7588  -33.1807
            49  C1y C    43.7594  -31.8062
            50  O2x O    42.5473  -31.1057
            51  C1b C    44.9763  -31.1045
            52  O7a O    46.2023  -31.8138
            53  O1a O    44.9640  -33.8773
            54  O1a O    42.5454  -35.2799
            55  O1a O    40.0958  -33.8941
            56  C7a C    47.4281  -31.1078
            57  C1b C    48.6509  -31.8160
            58  O6a O    47.4291  -29.6803
            59  C6a C    49.8488  -31.1269
            60  O6a O    51.0634  -31.8307
            61  O6a O    49.8508  -29.7500
BOND        66
            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  19 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   36  41 1 #Down
            46   37  42 1 #Up
            47   35  43 1 #Up
            48   40  44 1
            49   45  22 1 #Down
            50   45  46 1
            51   46  47 1
            52   47  48 1
            53   48  49 1
            54   49  50 1
            55   45  50 1
            56   49  51 1 #Down
            57   51  52 1
            58   48  53 1 #Up
            59   47  54 1 #Down
            60   46  55 1 #Up
            61   52  56 1
            62   56  57 1
            63   56  58 2
            64   57  59 1
            65   59  60 1
            66   59  61 2

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