KEGG   COMPOUND: C16910
Entry
C16910                      Compound                               
Name
Acutumine
Formula
C19H24ClNO6
Exact mass
397.1292
Mol weight
397.85
Structure
Other DBs
CAS: 17088-50-5
PubChem: 96023403
ChEBI: 80789
KNApSAcK: C00025765
NIKKAJI: J14.492D
LinkDB
KCF data

ATOM        27
            1   C1z C    27.1406  -17.0341
            2   C1z C    28.3043  -17.7085
            3   C1z C    27.4377  -15.7130
            4   C1x C    25.9711  -17.7028
            5   C1x C    28.2129  -16.3865
            6   C2y C    28.3043  -19.0471
            7   C1x C    29.3121  -16.8186
            8   N1y N    30.4595  -17.7168
            9   C1y C    28.7704  -15.5847
            10  C1y C    27.7813  -14.4151
            11  C5x C    26.0991  -15.7886
            12  C5x C    25.9711  -19.0471
            13  C1x C    30.4619  -16.3865
            14  C2y C    27.1406  -19.7228
            15  O2a O    29.4635  -19.7169
            16  X   Cl   29.4344  -14.4151
            17  C2y C    26.6525  -13.6813
            18  O1a O    28.7238  -13.4481
            19  C2x C    25.6099  -14.5316
            20  O5x O    25.1334  -16.7313
            21  O5x O    24.8072  -19.7169
            22  O2a O    27.1348  -21.0614
            23  C1a C    29.4635  -21.0556
            24  O2a O    26.6585  -12.3427
            25  C1a C    28.2986  -21.7300
            26  C1a C    25.4527  -11.7438
            27  C1a C    31.5085  -18.7714
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1 #Down
            10    3  11 1 #Up
            11    4  12 1
            12    5  13 1
            13    6  14 2
            14    6  15 1
            15    9  16 1 #Up
            16   10  17 1
            17   10  18 1 #Up
            18   11  19 1
            19   11  20 2
            20   12  21 2
            21   14  22 1
            22   15  23 1
            23   17  24 1
            24   22  25 1
            25   24  26 1
            26    7   9 1
            27    8  13 1
            28   12  14 1
            29   17  19 2
            30    8  27 1

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