KEGG   COMPOUND: C20637
Entry
C20637                      Compound                               
Name
5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate
Formula
C16H12N2O7
Exact mass
344.0645
Mol weight
344.27
Structure
Reaction
R06777 R06778
Pathway
map00401  Novobiocin biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 172232361
ChEBI: 176937
LinkDB
KCF data

ATOM        25
            1   C8y C    22.2030  -15.4948
            2   C8y C    22.2030  -16.8918
            3   C8x C    23.4128  -17.5903
            4   C8y C    24.6228  -16.8918
            5   C8x C    24.6228  -15.4948
            6   C8x C    23.4128  -14.7963
            7   C8y C    20.9932  -14.7963
            8   C8y C    19.7833  -15.4948
            9   C8y C    19.7833  -16.8918
            10  O7x O    20.9932  -17.5903
            11  N1b N    18.5484  -14.7963
            12  C5a C    17.3385  -15.4948
            13  C8y C    16.1287  -14.7963
            14  O6a O    18.5548  -17.6013
            15  O5a O    17.3385  -16.8916
            16  O1a O    20.9932  -13.3994
            17  O1a O    25.8513  -17.6013
            18  N4x N    15.7081  -13.4632
            19  C8x C    14.3107  -13.4514
            20  C8y C    13.8678  -14.7767
            21  C8y C    14.9913  -15.6075
            22  C1a C    14.9787  -17.0312
            23  C6a C    12.6809  -15.4948
            24  O6a O    11.4710  -14.7963
            25  O6a O    12.6952  -16.8918
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15    9  14 2
            16   12  15 2
            17    7  16 1
            18    4  17 1
            19   13  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   13  21 2
            24   21  22 1
            25   20  23 1
            26   23  24 1
            27   23  25 2

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