KEGG   COMPOUND: C19699
Entry
C19699                      Compound                               

Name
Dichloroarcyriaflavin A;
Rebeccamycin aglycon
Formula
C20H9Cl2N3O2
Exact mass
393.0072
Mol weight
394.2104
Structure
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00789  Rebeccamycin biosynthesis, tryptophan => rebeccamycin
Enzyme
1.13.12.17      4.3.3.5
Other DBs
PubChem: 135626167
ChEMBL: CHEMBL139517
KCF data

ATOM        27
            1   C8y C    20.1882  -16.7579
            2   C8y C    21.5906  -16.7579
            3   C5x C    22.0240  -15.4241
            4   N1x N    20.8894  -14.5997
            5   C5x C    19.7548  -15.4241
            6   C8y C    19.3641  -17.8920
            7   C8y C    22.4149  -17.8925
            8   C8y C    18.0201  -18.2925
            9   C8y C    17.9857  -19.6945
            10  N4x N    19.3085  -20.1606
            11  C8y C    20.1604  -19.0465
            12  C8y C    21.5931  -19.0280
            13  N4x N    22.4212  -20.1599
            14  C8y C    23.7535  -19.7222
            15  C8y C    23.7490  -18.3197
            16  C8x C    16.8232  -17.5617
            17  C8x C    15.5917  -18.2329
            18  C8x C    15.5574  -19.6349
            19  C8y C    16.7543  -20.3658
            20  C8y C    24.9703  -20.4195
            21  C8x C    26.1826  -19.7144
            22  C8x C    26.1781  -18.3119
            23  C8x C    24.9613  -17.6146
            24  O5x O    18.4329  -14.9945
            25  O5x O    23.3459  -14.9945
            26  X   Cl   16.7205  -21.7362
            27  X   Cl   24.9746  -21.8066
BOND        32
            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     2   7 1
            8     6   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12    6  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 1
            16   14  15 2
            17    7  15 1
            18    8  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22    9  19 1
            23   14  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   15  23 1
            28    5  24 2
            29    3  25 2
            30   19  26 1
            31   20  27 1
            32   11  12 1

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