KEGG   COMPOUND: C13906
Entry
C13906                      Compound                               
Name
Balofloxacin
Formula
C20H24FN3O4
Exact mass
389.1751
Mol weight
389.4207
Structure
Other DBs
CAS: 127294-70-6
PubChem: 854151
ChEBI: 34553
NIKKAJI: J597.415A
KCF data

ATOM        28
            1   C8y C    24.7042  -18.4756
            2   O2a O    25.9638  -20.5750
            3   C1y C    28.4132  -20.5750
            4   C8y C    25.9638  -19.1754
            5   C8y C    24.7042  -17.0760
            6   C8x C    25.9638  -16.3762
            7   N4y N    28.4132  -19.1754
            8   C8y C    27.1535  -18.4756
            9   C8y C    27.1535  -17.1459
            10  C8y C    28.4132  -16.4461
            11  C8y C    29.6029  -17.0760
            12  C8x C    29.6029  -18.4756
            13  C6a C    30.7925  -16.3762
            14  O6a O    30.7925  -14.9765
            15  O6a O    32.0522  -17.0760
            16  O5x O    28.4132  -15.0465
            17  X   F    23.5145  -16.3762
            18  C1x C    27.7134  -21.7647
            19  C1x C    29.1130  -21.7647
            20  N1y N    23.5145  -19.1754
            21  C1x C    23.5145  -20.5750
            22  C1x C    22.3248  -21.2748
            23  C1x C    21.0652  -20.5750
            24  C1y C    21.0652  -19.1754
            25  C1x C    22.3248  -18.4756
            26  N1b N    19.8755  -18.4756
            27  C1a C    18.6858  -19.1754
            28  C1a C    24.7042  -21.2748
BOND        31
            1     1   5 1
            2     5   6 2
            3     6   9 1
            4     2   4 1
            5     7   3 1
            6     7   8 1
            7     8   9 2
            8     9  10 1
            9    10  11 1
            10   11  12 2
            11   12   7 1
            12   11  13 1
            13   13  14 2
            14   13  15 1
            15   10  16 2
            16    8   4 1
            17    5  17 1
            18    4   1 2
            19   18  19 1
            20   19   3 1
            21   18   3 1
            22    1  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29   24  26 1 #Up
            30   26  27 1
            31    2  28 1

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