KEGG   COMPOUND: C11778Help
Entry
C11778                      Compound                               

Name
3-Acetylmorphine;
O(3)-Monoacetylmorphine
Formula
C19H21NO4
Exact mass
327.1471
Mol weight
327.3743
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 5140-28-3
PubChem: 13942
ChEBI: 1445
NIKKAJI: J276.364H
KCF data Show

ATOM        24
            1   C7a C    22.1810  -13.2192
            2   O7a O    23.3221  -12.5717
            3   O6a O    21.0488  -12.5609
            4   C1a C    22.1742  -14.5298
            5   C1z C    25.5936  -16.5115
            6   C8y C    25.5936  -15.2052
            7   C1y C    26.7261  -17.1772
            8   C1y C    24.4611  -17.1598
            9   C1x C    26.7261  -15.7708
            10  C8y C    24.4554  -14.5509
            11  C8y C    26.7377  -14.5509
            12  C1y C    27.8643  -16.5231
            13  C2x C    26.7144  -18.4788
            14  O2x O    23.1305  -15.8932
            15  C1y C    24.4495  -18.4730
            16  C1x C    29.0494  -15.7651
            17  C8y C    24.4554  -13.2317
            18  C1x C    27.8702  -15.2168
            19  C8x C    26.7377  -13.2317
            20  N1y N    29.0784  -17.1831
            21  C2x C    25.5819  -19.1261
            22  O1a O    23.3124  -19.1144
            23  C8x C    25.5936  -12.5787
            24  C1a C    30.2447  -16.5580
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 1
            9     6  11 2
            10    7  12 1
            11    7  13 1
            12    8  14 1 #Down
            13    8  15 1
            14    9  16 1
            15   10  17 2
            16   11  18 1
            17   11  19 1
            18   12  20 1 #Up
            19   13  21 2
            20   15  22 1 #Down
            21   17  23 1
            22   17   2 1
            23   20  24 1
            24   10  14 1
            25   12  18 1
            26   15  21 1
            27   16  20 1
            28   19  23 2

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