KEGG   COMPOUND: C11781
Entry
C11781                      Compound                               
Name
6-Acetylmorphine;
6-O-Monoacetylmorphine
Formula
C19H21NO4
Exact mass
327.1471
Mol weight
327.3743
Structure
Other DBs
CAS: 2784-73-8
PubChem: 13945
ChEBI: 2168
NIKKAJI: J330.682H
LinkDB
KCF data

ATOM        24
            1   C7a C    22.1216  -18.4308
            2   O7a O    23.2922  -19.1082
            3   O6a O    22.1216  -17.0830
            4   C1a C    20.9543  -19.1089
            5   C1z C    25.6023  -16.4854
            6   C8y C    25.5965  -15.1669
            7   C1y C    26.7280  -17.1533
            8   C1y C    24.4533  -17.1357
            9   C1x C    26.7280  -15.8115
            10  C8y C    24.4533  -14.5178
            11  C8y C    26.7337  -14.5178
            12  C1y C    27.8711  -16.4971
            13  C2x C    26.7220  -18.4646
            14  O2x O    23.1408  -15.7370
            15  C1y C    24.4474  -18.4472
            16  C1x C    29.0095  -15.8349
            17  C8y C    24.4533  -13.1878
            18  C1x C    27.8769  -15.1729
            19  C8x C    26.7337  -13.1878
            20  N1y N    29.0212  -17.1581
            21  C2x C    25.5789  -19.1151
            22  C8x C    25.6023  -12.5328
            23  O1a O    23.3031  -12.5328
            24  C1a C    30.2917  -16.8100
BOND        28
            1     1   3 2
            2     1   4 1
            3     1   2 1
            4     5   6 1
            5     5   7 1
            6     5   8 1
            7     5   9 1 #Up
            8     6  10 2
            9     6  11 1
            10    7  12 1
            11    7  13 1
            12    8  14 1 #Down
            13    8  15 1
            14    9  16 1
            15   10  17 1
            16   11  18 1
            17   11  19 2
            18   12  20 1 #Up
            19   13  21 2
            20   15   2 1 #Down
            21   17  22 2
            22   17  23 1
            23   20  24 1
            24   10  14 1
            25   12  18 1
            26   15  21 1
            27   16  20 1
            28   19  22 1

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