KEGG   COMPOUND: C21128
Entry
C21128                      Compound                               

Name
O-Demethyl-N-demethyl-staurosporine;
3'-O-Demethyl-4'-N-demethyl-staurosporine
Formula
C26H22N4O3
Exact mass
438.1692
Mol weight
438.4779
Structure
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00805  Staurosporine biosynthesis, tryptophan => staurosporine
Other DBs
PubChem: 312642097
ChEMBL: CHEMBL4203245
KCF data

ATOM        33
            1   C8y C    19.3421  -12.8484
            2   C8y C    17.9456  -12.8484
            3   C1x C    17.5266  -11.5216
            4   N1x N    18.6438  -10.7535
            5   C5x C    19.7611  -11.5216
            6   C8y C    20.0404  -14.0354
            7   C8y C    19.3421  -15.2923
            8   C8y C    17.9456  -15.2923
            9   C8y C    17.2473  -14.0354
            10  C8y C    21.4369  -14.3846
            11  C8y C    21.5766  -15.7113
            12  N4y N    20.2499  -16.3397
            13  N4y N    17.0378  -16.3397
            14  C8y C    15.7111  -15.7113
            15  C8y C    15.8508  -14.3846
            16  C8x C    22.5542  -13.5466
            17  C8x C    23.7412  -14.1052
            18  C8x C    23.8809  -15.5018
            19  C8x C    22.8335  -16.3397
            20  C8x C    14.4542  -16.3397
            21  C8x C    13.3370  -15.5018
            22  C8x C    13.4766  -14.1052
            23  C8x C    14.7335  -13.5466
            24  O5x O    21.0878  -11.1725
            25  C1y C    20.0404  -18.1552
            26  C1x C    20.0404  -19.5518
            27  C1y C    18.8533  -20.2500
            28  C1y C    17.5964  -19.5518
            29  C1z C    17.5964  -18.1552
            30  O2x O    18.8533  -17.4569
            31  O1a O    16.4094  -20.2500
            32  N1a N    18.8533  -21.6466
            33  C1a C    16.4094  -18.0156
BOND        40
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    2   9 1
            11    6  10 1
            12   10  11 2
            13   11  12 1
            14    7  12 1
            15    8  13 1
            16   13  14 1
            17   14  15 2
            18    9  15 1
            19   10  16 1
            20   16  17 2
            21   17  18 1
            22   18  19 2
            23   11  19 1
            24   14  20 1
            25   20  21 2
            26   21  22 1
            27   22  23 2
            28   15  23 1
            29    5  24 2
            30   25  26 1
            31   26  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   25  30 1
            36   25  12 1 #Up
            37   28  31 1 #Up
            38   27  32 1 #Up
            39   29  33 1 #Down
            40   29  13 1 #Up

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