KEGG   COMPOUND: C08674
Entry
C08674                      Compound                               
Name
Delavaine A
Formula
C38H54N2O11
Exact mass
714.3728
Mol weight
714.8422
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08674  Delavaine A
Other DBs
CAS: 109291-57-8
PubChem: 10867
ChEBI: 4377
KNApSAcK: C00001630
3DMET: B05273
NIKKAJI: J671.251G
LinkDB
KCF data

ATOM        51
            1   C1z C    28.5237  -15.8057
            2   C1y C    28.5237  -17.1573
            3   C1y C    28.4420  -14.3958
            4   C1y C    29.4907  -15.0250
            5   C1y C    27.3701  -15.1356
            6   C1z C    27.3701  -17.8155
            7   C1y C    29.5374  -17.9495
            8   C1z C    30.8016  -17.6408
            9   N1y N    26.8866  -16.5629
            10  C1y C    30.7316  -15.3105
            11  C1x C    29.3801  -13.7608
            12  C1x C    26.2108  -15.8057
            13  O2a O    27.3701  -13.7900
            14  C1x C    26.8926  -18.9748
            15  C1x C    26.2108  -17.1513
            16  C1b C    27.8886  -18.9748
            17  O2a O    29.2461  -19.2544
            18  C1z C    31.3258  -16.4173
            19  O1a O    31.5997  -18.7185
            20  C1b C    25.6690  -15.8638
            21  C1y C    31.3784  -14.2269
            22  C1y C    30.5394  -13.2715
            23  C1a C    26.2167  -13.1257
            24  O7a O    27.8829  -20.3147
            25  C1a C    30.5922  -20.2274
            26  C1x C    32.8989  -15.7008
            27  O1a O    32.4911  -17.0873
            28  C1a C    24.4573  -16.5629
            29  O2a O    33.6561  -13.0909
            30  C1y C    31.8094  -13.2656
            31  C7a C    26.8459  -20.9031
            32  C1a C    35.0314  -13.7141
            33  O2a O    32.6075  -12.1879
            34  C8y C    26.9100  -22.1091
            35  O6a O    25.8089  -20.3031
            36  C1a C    32.0773  -10.8243
            37  C8y C    25.7972  -22.6975
            38  C8x C    27.8653  -22.7092
            39  N1b N    24.7719  -22.0915
            40  C8x C    25.8556  -23.8802
            41  C8x C    27.8596  -23.8976
            42  C5a C    23.7408  -22.6800
            43  C8x C    26.8226  -24.4977
            44  C1c C    22.7155  -22.0800
            45  O5a O    23.7349  -23.8509
            46  C1b C    21.6842  -22.6683
            47  C1a C    22.7738  -20.8915
            48  C7a C    20.6648  -22.0741
            49  O7a O    19.6394  -22.6626
            50  O6a O    20.6589  -20.8798
            51  C1a C    18.4682  -22.0625
BOND        57
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36   34  37 2
            37   34  38 1
            38   37  39 1
            39   37  40 1
            40   38  41 2
            41   39  42 1
            42   40  43 2
            43   42  44 1
            44   42  45 2
            45   44  46 1
            46   44  47 1
            47   46  48 1
            48   48  49 1
            49   48  50 2
            50   49  51 1
            51    7   8 1
            52    9  14 1
            53   10  18 1
            54   12  15 1
            55   21  22 1
            56   26  30 1
            57   41  43 1

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