KEGG   COMPOUND: C19699Help
Entry
C19699                      Compound                               

Name
Dichloroarcyriaflavin A;
Rebeccamycin aglycon
Formula
C20H9Cl2N3O2
Exact mass
393.0072
Mol weight
394.2104
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00789  Rebeccamycin biosynthesis, tryptophan => rebeccamycin
Enzyme
1.13.12.17      4.3.3.5
Other DBs
PubChem: 135626167
ChEMBL: CHEMBL139517
LinkDB All DBs
KCF data Show

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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