KEGG   COMPOUND: C19700
Entry
C19700                      Compound                               

Name
4'-O-Demethylrebeccamycin
Formula
C26H19Cl2N3O7
Exact mass
555.06
Mol weight
556.351
Structure
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00789  Rebeccamycin biosynthesis, tryptophan => rebeccamycin
Enzyme
2.1.1.164       4.3.3.5
Brite
Glycosides [BR:br08021]
 N-glycosides
  C19700  4'-O-Demethylrebeccamycin
Other DBs
PubChem: 135626168
ChEBI: 595389
KCF data

ATOM        38
            1   C1y C    19.7400  -22.2600
            2   C1y C    19.7400  -23.6600
            3   C1y C    20.9524  -24.3600
            4   C1y C    22.1649  -23.6600
            5   C1y C    22.1649  -22.2600
            6   O2x O    20.9524  -21.5600
            7   O1a O    20.9524  -25.7598
            8   C1b C    18.5276  -21.5600
            9   O1a O    23.3960  -24.3710
            10  O1a O    18.5276  -24.3600
            11  C8y C    20.1729  -16.3252
            12  C8y C    21.5743  -16.3252
            13  C5x C    22.0074  -14.9924
            14  N1x N    20.8736  -14.1687
            15  C5x C    19.7399  -14.9924
            16  C8y C    19.3495  -17.4585
            17  C8y C    22.3980  -17.4590
            18  C8y C    18.0065  -17.8587
            19  C8y C    17.9721  -19.2596
            20  N4x N    19.2939  -19.7254
            21  C8y C    20.1452  -18.6121
            22  C8y C    21.5768  -18.5936
            23  N4y N    22.4043  -19.7247
            24  C8y C    23.7355  -19.2873
            25  C8y C    23.7310  -17.8859
            26  C8x C    16.8105  -17.1284
            27  C8x C    15.5099  -17.7991
            28  C8x C    15.5456  -19.2001
            29  C8y C    16.7416  -19.9304
            30  C8y C    24.9514  -19.9841
            31  C8x C    26.1628  -19.2795
            32  C8x C    26.1583  -17.8781
            33  C8x C    24.9424  -17.1813
            34  O5x O    18.4190  -14.5632
            35  O5x O    23.3283  -14.5632
            36  X   Cl   16.7079  -21.2998
            37  X   Cl   24.8857  -21.3701
            38  O1a O    17.3321  -22.2504
BOND        44
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1 #Up
            8     1   8 1 #Up
            9     4   9 1 #Down
            10    2  10 1 #Down
            11   11  12 2
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   11  15 1
            16   11  16 1
            17   12  17 1
            18   16  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 1
            22   16  21 2
            23   17  22 2
            24   22  23 1
            25   23  24 1
            26   24  25 2
            27   17  25 1
            28   18  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   19  29 1
            33   24  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   25  33 1
            38   15  34 2
            39   13  35 2
            40   29  36 1
            41   30  37 1
            42   21  22 1
            43    5  23 1 #Up
            44    8  38 1

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