KEGG   COMPOUND: C17533
Entry
C17533                      Compound                               
Name
Gambirtannine
Formula
C21H18N2O2
Exact mass
330.1368
Mol weight
330.3798
Structure
Other DBs
PubChem: 96023878
ChEBI: 81165
NIKKAJI: J16.816E
KCF data

ATOM        25
            1   C8x C    17.5700  -25.6900
            2   C8x C    17.5700  -27.0900
            3   C8x C    18.7824  -27.7900
            4   C8y C    19.9949  -27.0900
            5   C8y C    19.9949  -25.6900
            6   C8y C    18.7824  -24.9900
            7   C1x C    21.2073  -27.7900
            8   N1y N    22.4197  -27.0900
            9   C2y C    22.4197  -25.6900
            10  C2x C    21.2073  -24.9900
            11  C1x C    23.6322  -27.7900
            12  C1x C    24.8446  -27.0900
            13  C8y C    24.8446  -25.6900
            14  C8y C    23.6322  -24.9900
            15  C8y C    25.8850  -24.7532
            16  C8y C    25.3156  -23.4742
            17  N4x N    23.9233  -23.6206
            18  C7a C    18.7824  -23.5902
            19  O6a O    17.5532  -22.8803
            20  O7a O    19.9780  -22.8998
            21  C1a C    21.1652  -23.5852
            22  C8x C    27.4297  -24.8101
            23  C8x C    28.0424  -23.5513
            24  C8x C    27.3286  -22.3213
            25  C8x C    26.0021  -22.3501
BOND        29
            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 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   13  15 1
            18   15  16 1
            19   16  17 1
            20   14  17 1
            21    6  18 1
            22   18  19 2
            23   18  20 1
            24   20  21 1
            25   15  22 2
            26   22  23 1
            27   23  24 2
            28   24  25 1
            29   16  25 2

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