KEGG   COMPOUND: C16822
Entry
C16822                      Compound                               
Name
9-Aminocamptothecin
Formula
C20H17N3O4
Exact mass
363.1219
Mol weight
363.3667
Structure
Other DBs
CAS: 91421-43-1
PubChem: 96023346
ChEBI: 80755
NIKKAJI: J360.571J
KCF data

ATOM        27
            1   C8x C    24.6400  -16.4500
            2   C8x C    24.6400  -17.8500
            3   C8x C    25.8300  -18.5500
            4   C8y C    27.0200  -17.8500
            5   C8y C    27.0200  -16.4500
            6   C8y C    25.8300  -15.7500
            7   N5x N    28.2800  -18.5500
            8   C8y C    29.4700  -17.8500
            9   C8y C    29.4700  -16.4500
            10  C8x C    28.2800  -15.7500
            11  C8y C    30.8000  -18.2700
            12  N4y N    31.6400  -17.1500
            13  C1x C    30.8000  -16.0300
            14  C8y C    32.9700  -17.1500
            15  C8y C    33.6700  -18.3400
            16  C8y C    33.0400  -19.5300
            17  C8x C    31.5700  -19.5300
            18  C1z C    33.7400  -20.7200
            19  C7x C    35.0700  -20.7200
            20  O7x O    35.7000  -19.5300
            21  C1x C    35.0000  -18.3400
            22  O5x O    33.6700  -15.8900
            23  O6a O    35.7700  -21.9800
            24  C1b C    32.3400  -20.7200
            25  O1a O    33.7400  -22.1900
            26  C1a C    31.6400  -21.9800
            27  N1a N    25.8300  -14.3500
BOND        31
            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 2
            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    9  13 1
            16   12  14 1
            17   14  15 1
            18   15  16 2
            19   16  17 1
            20   16  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   15  21 1
            25   17  11 2
            26   14  22 2
            27   19  23 2
            28   18  24 1 #Down
            29   18  25 1 #Up
            30   24  26 1
            31    6  27 1

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