KEGG   COMPOUND: C22165
Entry
C22165                      Compound                               

Name
Roquefortine C
Formula
C22H23N5O2
Exact mass
389.1852
Mol weight
389.4503
Structure
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.-       1.-.-.-         2.5.1.-
Other DBs
CAS: 58735-64-1
PubChem: 405226356
KCF data

ATOM        29
            1   C8y C    15.7250  -16.0046
            2   C1z C    17.0529  -15.5852
            3   C8y C    15.7250  -17.4024
            4   C8x C    14.5369  -15.2358
            5   C1x C    17.8217  -14.4670
            6   N1x N    16.9830  -17.8916
            7   C8x C    14.4670  -18.1012
            8   C8x C    13.2789  -15.9347
            9   C8x C    13.2789  -17.4722
            10  C1y C    17.7518  -16.7734
            11  C1y C    19.1496  -14.8165
            12  N1y N    19.1496  -16.2142
            13  C5x C    20.4076  -16.9131
            14  C2y C    21.5957  -16.1444
            15  N1x N    21.5957  -14.7466
            16  C5x C    20.3377  -14.1176
            17  O5x O    20.3377  -12.7198
            18  O5x O    20.4076  -18.3109
            19  C8y C    22.8537  -18.1711
            20  C2b C    22.8537  -16.8432
            21  N5x N    21.7355  -19.0098
            22  C8x C    22.2247  -20.3377
            23  N4x N    23.6225  -20.2678
            24  C8x C    23.9719  -18.9399
            25  C1d C    16.3540  -14.3971
            26  C1a C    17.2626  -13.2789
            27  C1a C    14.9562  -14.3971
            28  C2b C    15.6551  -13.2090
            29  C2a C    16.3540  -12.0209
BOND        33
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 2
            8     7   9 2
            9     8   9 1
            10    2  10 1
            11   10   6 1
            12    5  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 1
            19   16  17 2
            20   13  18 2
            21   19  20 1
            22   14  20 2
            23   19  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 1
            27   19  24 2
            28   10  12 1
            29    2  25 1
            30   25  26 1
            31   25  27 1
            32   25  28 1
            33   28  29 2

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