KEGG   COMPOUND: C21135
Entry
C21135                      Compound                               
Name
Violaceinic acid;
Violaceinate
Formula
C21H15N3O4
Exact mass
373.1063
Mol weight
373.3615
Structure
Reaction
R11135 R11136 R11373
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00808  Violacein biosynthesis, tryptophan => violacein
Enzyme
1.14.13.224
Other DBs
PubChem: 313046615
LinkDB
KCF data

ATOM        28
            1   C8x C    14.2133  -19.6745
            2   C8x C    14.2133  -21.0749
            3   C8x C    15.4035  -21.7750
            4   C8y C    16.5938  -21.0749
            5   C8y C    16.5938  -19.6745
            6   C8x C    15.4035  -18.9744
            7   N4x N    17.9241  -21.4949
            8   C8y C    18.7643  -20.3747
            9   C8y C    17.9241  -19.1844
            10  C8y C    18.4142  -17.9241
            11  C8x C    19.7445  -17.4340
            12  C8y C    19.7445  -16.0337
            13  N4x N    18.4142  -15.6136
            14  C8y C    17.5740  -16.7339
            15  C8y C    20.8648  -15.2635
            16  C8x C    22.1951  -15.6836
            17  N4x N    23.0353  -14.5634
            18  C8y C    22.1951  -13.3731
            19  C8y C    20.8648  -13.8632
            20  C8x C    22.4752  -12.0428
            21  C8x C    21.4249  -11.1326
            22  C8y C    20.0946  -11.5527
            23  C8x C    19.8146  -12.8830
            24  C6a C    16.1737  -16.7339
            25  O6a O    15.4736  -15.5436
            26  O6a O    15.4736  -17.9941
            27  O1a O    19.0444  -10.6425
            28  O1a O    20.1598  -20.3948
BOND        32
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 1
            16   10  14 2
            17   12  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 2
            22   15  19 1
            23   18  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   19  23 1
            28   14  24 1
            29   24  25 1
            30   24  26 2
            31   22  27 1
            32    8  28 1

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