KEGG   COMPOUND: C08547
Entry
C08547                      Compound                               
Name
Gomphrenin-V
Formula
C34H34N2O16
Exact mass
726.1908
Mol weight
726.6376
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betacyanins
    C08547  Gomphrenin-V
Other DBs
CAS: 16955-52-5
PubChem: 10740
ChEBI: 5519
KNApSAcK: C00001589
3DMET: B02215
NIKKAJI: J2.766.276E
LinkDB
KCF data

ATOM        52
            1   C8y C    33.2444  -14.7513
            2   N2y N    34.5711  -15.1886 #+
            3   C8y C    33.2587  -13.3601
            4   C8x C    32.0254  -15.4325
            5   C1y C    35.4029  -14.0630
            6   C2b C    34.5711  -16.5941
            7   C1x C    34.5854  -12.9299
            8   C8x C    32.0541  -12.6502
            9   C8y C    30.8981  -14.7297
            10  C6a C    36.8082  -14.0557
            11  C2b C    35.7828  -17.3040
            12  C8y C    30.8424  -13.3387
            13  O2a O    29.6089  -15.4109
            14  O6a O    37.5038  -12.8438
            15  O6a O    37.5038  -15.2820 #-
            16  C2y C    35.7828  -18.7093
            17  O1a O    29.6232  -12.6288
            18  C1y C    28.4115  -16.1208
            19  C1x C    34.5638  -19.4049
            20  C2x C    36.9947  -19.4049
            21  O2x O    27.1925  -15.4469
            22  C1y C    28.4402  -17.5263
            23  C1y C    34.5638  -20.8104
            24  C2y C    36.9947  -20.8104
            25  C1y C    25.9879  -16.1639
            26  C1y C    27.2426  -18.2433
            27  O1a O    29.6735  -18.2076
            28  N1x N    35.7828  -21.5131
            29  C6a C    33.3519  -21.5131
            30  C6a C    38.2137  -21.5131
            31  C1y C    25.9393  -17.5694
            32  C1b C    24.7616  -15.4899
            33  O1a O    27.2643  -19.6559
            34  O6a O    32.1329  -20.8104
            35  O6a O    33.3519  -22.9186
            36  O6a O    38.2137  -22.9186
            37  O6a O    39.4327  -20.8104
            38  O1a O    24.8117  -18.2864
            39  O7a O    23.5640  -16.2069
            40  C7a C    22.3451  -15.5400
            41  C2b C    21.1548  -16.2570
            42  O6a O    22.3380  -14.1418
            43  C2b C    19.9287  -15.5831
            44  C8y C    18.7384  -16.3073
            45  C8x C    17.5265  -15.6045
            46  C8x C    18.7455  -17.7056
            47  C8y C    16.3146  -16.3073
            48  C8x C    17.5336  -18.4082
            49  C8y C    16.3219  -17.7056
            50  O2a O    15.1100  -15.6118
            51  O1a O    15.1100  -18.4012
            52  C1a C    13.9053  -16.3144
BOND        56
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1 #Up
            10    6  11 1
            11    8  12 2
            12    9  13 1
            13   10  14 2
            14   10  15 1
            15   11  16 2
            16   12  17 1
            17   18  13 1 #Up
            18   16  19 1
            19   16  20 1
            20   18  21 1
            21   18  22 1
            22   19  23 1
            23   20  24 2
            24   21  25 1
            25   22  26 1
            26   22  27 1 #Down
            27   23  28 1
            28   23  29 1 #Down
            29   24  30 1
            30   25  31 1
            31   25  32 1 #Up
            32   26  33 1 #Up
            33   29  34 1
            34   29  35 2
            35   30  36 1
            36   30  37 2
            37   31  38 1 #Down
            38   32  39 1
            39   39  40 1
            40   40  41 1
            41   40  42 2
            42   41  43 2
            43   43  44 1
            44   44  45 1
            45   44  46 2
            46   45  47 2
            47   46  48 1
            48   47  49 1
            49   47  50 1
            50   49  51 1
            51   50  52 1
            52    5   7 1
            53    9  12 1
            54   24  28 1
            55   26  31 1
            56   48  49 2

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