KEGG   COMPOUND: C21133
Entry
C21133                      Compound                               

Name
Deoxyviolacein
Formula
C20H13N3O2
Exact mass
327.1008
Mol weight
327.3361
Structure
Reaction
Pathway
map00404  Staurosporine biosynthesis
Other DBs
PubChem: 313046613
ChEBI: 131915
KCF data

ATOM        25
            1   C8x C    16.5900  -19.9500
            2   C8x C    16.5900  -21.3500
            3   C8x C    17.7800  -22.0500
            4   C8y C    18.9700  -21.3500
            5   C8y C    18.9700  -19.9500
            6   C8x C    17.7800  -19.2500
            7   N1x N    20.3000  -21.7700
            8   C5x C    21.1400  -20.6500
            9   C2y C    20.3000  -19.4600
            10  C2y C    20.7900  -18.2000
            11  C2x C    22.1200  -17.7100
            12  C2y C    22.1200  -16.3100
            13  N1x N    20.7900  -15.8900
            14  C5x C    19.9500  -17.0100
            15  C8y C    23.2400  -15.5400
            16  C8x C    24.5700  -15.9600
            17  N4x N    25.4100  -14.8400
            18  C8y C    24.5700  -13.6500
            19  C8y C    23.2400  -14.1400
            20  C8x C    24.8500  -12.3200
            21  C8x C    23.8000  -11.4100
            22  C8x C    22.4700  -11.8300
            23  C8x C    22.1900  -13.1600
            24  O5x O    18.5500  -17.0100
            25  O5x O    22.5399  -20.6702
BOND        29
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   12  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 2
            22   15  19 1
            23   18  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   19  23 1
            28   14  24 2
            29    8  25 2

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