KEGG   COMPOUND: C22172
Entry
C22172                      Compound                               

Name
Neoxaline
Formula
C23H25N5O4
Exact mass
435.1907
Mol weight
435.4757
Structure
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.-
Other DBs
CAS: 71812-10-7
PubChem: 405226363
KCF data

ATOM        32
            1   C8y C    16.5208  -14.9872
            2   C1z C    17.8452  -14.5690
            3   C8y C    16.5208  -16.3814
            4   C8x C    15.3358  -14.2205
            5   N1y N    17.4967  -16.7996
            6   C8x C    15.2661  -17.0784
            7   C8x C    14.0810  -14.9175
            8   C8x C    14.0810  -16.4511
            9   C1z C    18.6120  -15.7540
            10  C1d C    17.1481  -13.3840
            11  C1a C    18.0543  -12.2687
            12  C1a C    15.7540  -13.3840
            13  C2b C    16.4511  -12.1990
            14  C2a C    17.1481  -11.0139
            15  N1y N    20.0061  -15.7540
            16  C5x C    20.7032  -14.4993
            17  C1y C    20.0061  -13.3143
            18  C1x C    18.6120  -13.3143
            19  C5x C    19.3090  -17.9149
            20  C2y C    20.4244  -17.0784
            21  O5x O    19.4485  -19.3090
            22  C8y C    21.8882  -19.0999
            23  C2b C    21.7488  -17.6361
            24  N5x N    20.8426  -20.0061
            25  C8x C    21.4002  -21.3305
            26  N4x N    22.7944  -21.1214
            27  C8x C    23.1429  -19.7970
            28  O5x O    22.0973  -14.4993
            29  O1a O    20.7032  -12.1293
            30  N1x N    18.2634  -17.0784
            31  O2a O    16.7996  -18.0543
            32  C1a C    15.4055  -18.0543
BOND        36
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 2
            7     6   8 2
            8     7   8 1
            9     2   9 1
            10    9   5 1
            11    2  10 1
            12   10  11 1
            13   10  12 1
            14   10  13 1
            15   13  14 2
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20    2  18 1
            21   19  20 1
            22   15  20 1
            23   19  21 2
            24   22  23 1
            25   20  23 2
            26   22  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 1
            30   22  27 2
            31   16  28 2
            32   17  29 1
            33    9  30 1
            34   30  19 1
            35    5  31 1
            36   31  32 1

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