KEGG   COMPOUND: C08653
Entry
C08653                      Compound                               
Name
Malonylawobanin
Formula
C39H39O22
Exact mass
859.1933
Mol weight
859.7138
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C08653  Malonylawobanin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C08653  Malonylawobanin
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated delphinidin
    C08653  Malonylawobanin
Other DBs
CAS: 88399-23-9
PubChem: 10846
ChEBI: 6665
LIPIDMAPS: LMPK12010299
KNApSAcK: C00006886
3DMET: B02303
NIKKAJI: J440.085B
LinkDB
KCF data

ATOM        61
            1   C8y C    27.0042  -17.6246
            2   C8y C    27.0042  -19.0292
            3   C8y C    28.2116  -16.9303
            4   O2x O    25.7968  -16.9303 #+
            5   C8x C    25.7968  -19.7158
            6   O2a O    28.2510  -19.7393
            7   C8x C    29.4348  -17.6246
            8   C8x C    28.2116  -15.5334
            9   C8y C    24.5894  -17.6246
            10  C8y C    24.5894  -19.0292
            11  C1y C    29.6714  -20.5918
            12  C8y C    30.6422  -16.9303
            13  C8y C    29.4268  -14.8233
            14  C8x C    23.3820  -16.9303
            15  C8y C    23.3820  -19.7158
            16  O2x O    29.6478  -21.9807
            17  C1y C    30.8868  -19.9130
            18  C8y C    30.6422  -15.5176
            19  O1a O    31.8493  -17.6168
            20  O1a O    29.4268  -13.4502
            21  C8y C    22.1749  -17.6246
            22  O2a O    23.3820  -21.1124
            23  C8x C    22.1749  -19.0292
            24  C1y C    30.8394  -22.6908
            25  C1y C    32.0782  -20.6154
            26  O1a O    30.9024  -18.5242
            27  O1a O    31.8416  -14.8233
            28  O1a O    20.9753  -16.9303
            29  C1y C    22.0170  -21.9726
            30  C1y C    32.0624  -22.0120
            31  C1b C    30.8236  -24.0796
            32  O1a O    33.2936  -19.9446
            33  O2x O    20.8018  -21.3177
            34  C1y C    22.0721  -23.3615
            35  O1a O    33.2462  -22.7301
            36  O7a O    31.9757  -24.7820
            37  C1y C    19.6180  -22.0594
            38  C1y C    20.8963  -24.0954
            39  O1a O    23.2953  -24.0087
            40  C7a C    33.2224  -25.4843
            41  C1y C    19.5953  -23.4405
            42  C1b C    18.3790  -21.3966
            43  O1a O    20.9437  -25.4763
            44  C2b C    34.4298  -24.7820
            45  O6a O    33.2224  -26.8732
            46  O1a O    18.4895  -24.1744
            47  O7a O    17.1716  -22.0990
            48  C2b C    35.6294  -25.4843
            49  C7a C    15.9645  -21.3966
            50  C8y C    36.8288  -24.7820
            51  C1b C    14.7571  -22.0990
            52  O6a O    15.9645  -20.0078
            53  C8x C    38.0204  -25.4843
            54  C8x C    36.8210  -23.3931
            55  C6a C    13.5497  -21.3966
            56  C8x C    39.2356  -24.7820
            57  C8x C    38.0204  -22.7066
            58  O6a O    13.5497  -20.0078
            59  O6a O    12.3423  -22.0990
            60  C8y C    39.2356  -23.3931
            61  O1a O    40.4352  -22.7066
BOND        66
            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   21  28 1
            28   29  22 1 #Up
            29   24  30 1
            30   24  31 1 #Up
            31   25  32 1 #Up
            32   29  33 1
            33   29  34 1
            34   30  35 1 #Down
            35   31  36 1
            36   33  37 1
            37   34  38 1
            38   34  39 1 #Down
            39   36  40 1
            40   37  41 1
            41   37  42 1 #Up
            42   38  43 1 #Up
            43   40  44 1
            44   40  45 2
            45   41  46 1 #Down
            46   42  47 1
            47   44  48 2
            48   47  49 1
            49   48  50 1
            50   49  51 1
            51   49  52 2
            52   50  53 2
            53   50  54 1
            54   51  55 1
            55   53  56 1
            56   54  57 2
            57   55  58 1
            58   55  59 2
            59   56  60 2
            60   60  61 1
            61    9  10 2
            62   13  18 1
            63   21  23 1
            64   25  30 1
            65   38  41 1
            66   57  60 1

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