KEGG   COMPOUND: C15985
Entry
C15985                      Compound                               

Name
17-O-Acetylajmaline
Formula
C22H28N2O3
Exact mass
368.21
Mol weight
368.4693
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
Enzyme
Other DBs
PubChem: 47205298
KNApSAcK: C00024289
NIKKAJI: J40.240K
KCF data

ATOM        27
            1   C8x C    17.7100  -40.7400
            2   C8x C    17.7100  -42.1400
            3   C8x C    18.9224  -42.8400
            4   C8y C    20.1349  -42.1400
            5   C8y C    20.1349  -40.7400
            6   C8x C    18.9224  -40.0400
            7   N1y N    21.3473  -42.8400
            8   C1y C    22.5597  -42.1400
            9   C1z C    22.5597  -40.7400
            10  C1y C    23.7722  -42.8400
            11  N1y N    24.9846  -42.1400
            12  C1y C    24.9846  -40.7400
            13  C1x C    23.7722  -40.0400
            14  C1x C    23.7722  -44.2400
            15  C1y C    24.9846  -44.9400
            16  C1y C    26.1970  -44.2400
            17  C1y C    26.1970  -42.8400
            18  C1a C    21.3473  -44.2400
            19  O1a O    27.3966  -42.1473
            20  C1b C    27.3966  -44.9327
            21  C1a C    28.5859  -44.2460
            22  C1y C    26.8170  -38.4777
            23  C1y C    22.9097  -38.0800
            24  O7a O    22.0337  -36.9724
            25  C7a C    21.0438  -35.9825
            26  C1a C    19.7166  -36.3381
            27  O6a O    21.4082  -34.6215
BOND        32
            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   5 1 #Down
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   11  17 1
            21    7  18 1
            22   17  19 1 #Down
            23   16  20 1 #Up
            24   20  21 1
            25   15  22 1 #Up
            26   12  22 1 #Up
            27    9  23 1
            28   22  23 1
            29   23  24 1 #Down
            30   24  25 1
            31   25  26 1
            32   25  27 2

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