KEGG   COMPOUND: C12340
Entry
C12340                      Compound                               
Name
Ancistrotectorine
Formula
C26H31NO4
Exact mass
421.2253
Mol weight
421.5286
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Acetate derived alkaloids
    C12340  Ancistrotectorine
Other DBs
CAS: 98985-59-2
PubChem: 582730
ChEBI: 31213
KNApSAcK: C00025293
NIKKAJI: J943.459C
KCF data

ATOM        31
            1   C8x C    25.6447  -22.7080
            2   C8y C    24.4402  -22.0063
            3   C8y C    26.8610  -22.0063
            4   C8y C    24.4343  -20.6029
            5   C8x C    23.2239  -22.7137
            6   C8y C    26.8610  -20.6029
            7   C8y C    25.6447  -19.8953
            8   C8y C    23.2122  -19.9012
            9   C8x C    22.0017  -22.0180
            10  O1a O    25.6506  -18.4978
            11  C8x C    21.9960  -20.6146
            12  O2a O    23.2122  -18.4978
            13  C1a C    22.0006  -17.7983
            14  C8y C    28.0689  -19.9102
            15  C8y C    29.2793  -20.6116
            16  C8x C    29.2840  -17.8136
            17  C8y C    28.0713  -18.5112
            18  C8y C    30.4943  -18.5151
            19  C8y C    30.4912  -19.9107
            20  C1y C    31.6981  -20.6110
            21  N1y N    32.9081  -19.9161
            22  C1y C    32.9114  -18.5206
            23  C1x C    31.7045  -17.8202
            24  O2a O    29.2788  -22.0105
            25  C1a C    28.0668  -22.7095
            26  C1a C    30.4900  -22.7105
            27  O2a O    26.8608  -17.8097
            28  C1a C    26.8632  -16.4107
            29  C1a C    31.6950  -22.0100
            30  C1a C    34.1182  -20.6183
            31  C1a C    34.1245  -17.8238
BOND        34
            1     2   4 2
            2     2   5 1
            3    14  15 2
            4    15  19 1
            5    18  16 1
            6    16  17 2
            7    17  14 1
            8     6  14 1
            9     3   6 1
            10    4   7 1
            11    4   8 1
            12    5   9 2
            13    7  10 1
            14    8  11 2
            15   18  19 2
            16   19  20 1
            17   20  21 1
            18   21  22 1
            19   22  23 1
            20   23  18 1
            21    8  12 1
            22   15  24 1
            23    7   6 2
            24    9  11 1
            25   24  26 1
            26    3  25 1
            27   17  27 1
            28   27  28 1
            29   12  13 1
            30   20  29 1 #Down
            31    1   2 1
            32   21  30 1
            33    3   1 2
            34   22  31 1 #Down

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