KEGG   COMPOUND: C22169
Entry
C22169                      Compound                               
Name
N1-Hydroxy-roquefortine C
Formula
C22H23N5O3
Exact mass
405.1801
Mol weight
405.4497
Structure
Reaction
R12444 R12445 R12447
Pathway
map00404  Staurosporine biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.-       2.1.1.-
Other DBs
PubChem: 405226360
ChEBI: 181953
LinkDB
KCF data

ATOM        30
            1   C8y C    15.7723  -16.0527
            2   C1z C    17.1042  -15.6321
            3   C8y C    15.7723  -17.4547
            4   C8x C    14.5806  -15.2816
            5   C1x C    17.8753  -14.5105
            6   N1y N    17.0341  -17.9454
            7   C8x C    14.5105  -18.1557
            8   C8x C    13.3189  -15.9826
            9   C8x C    13.3189  -17.5248
            10  C1y C    17.8052  -16.8238
            11  C1y C    19.2072  -14.8610
            12  N1y N    19.2072  -16.2630
            13  C5x C    20.4690  -16.9640
            14  C2y C    21.6607  -16.1929
            15  N1x N    21.6607  -14.7909
            16  C5x C    20.3989  -14.1600
            17  O5x O    20.3989  -12.7581
            18  O5x O    20.4690  -18.3660
            19  C8y C    22.8523  -18.2258
            20  C2b C    22.8523  -16.8939
            21  N5x N    21.8009  -19.0670
            22  C8x C    22.2215  -20.3989
            23  N4x N    23.6234  -20.3288
            24  C8x C    23.9739  -18.9969
            25  C1d C    16.4032  -14.4404
            26  C1a C    17.3145  -13.3189
            27  C1a C    15.0012  -14.4404
            28  C2b C    15.7022  -13.2488
            29  C2a C    16.4032  -12.0571
            30  O1b O    17.0341  -19.3454
BOND        34
            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
            34    6  30 1

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