KEGG   COMPOUND: C20629
Entry
C20629                      Compound                               

Name
8-Demethylnovobiocic acid
Formula
C21H19NO6
Exact mass
381.1212
Mol weight
381.3787
Structure
Reaction
Pathway
map00401  Novobiocin biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.284       6.3.1.15
Other DBs
PubChem: 172232353
KCF data

ATOM        28
            1   C5a C    20.5630  -13.6501
            2   C8y C    21.7731  -14.3568
            3   O5a O    20.5630  -12.2499
            4   C8x C    21.7785  -15.7628
            5   C8x C    22.9839  -13.6559
            6   C8y C    22.9896  -16.4625
            7   C8x C    24.1995  -14.3509
            8   C8y C    24.2054  -15.7571
            9   C1b C    22.9896  -17.8615
            10  O1a O    25.4152  -16.4437
            11  C2b C    24.2054  -18.5680
            12  C2c C    24.2054  -19.9684
            13  C1a C    25.4152  -20.6679
            14  C1a C    22.9896  -20.6679
            15  N1b N    19.3321  -14.3616
            16  C8y C    15.4976  -12.3647
            17  C8y C    15.4976  -13.7543
            18  C8x C    14.2971  -11.6792
            19  O7x O    16.7110  -11.6617
            20  C8y C    16.7169  -14.4525
            21  C8x C    14.2971  -14.4582
            22  C8y C    13.1026  -12.3647
            23  C8y C    17.9230  -12.3531
            24  C8y C    17.9347  -13.7600
            25  O1a O    16.7169  -15.8304
            26  C8x C    13.1026  -13.7543
            27  O1a O    11.9209  -11.6851
            28  O6a O    19.1117  -11.6675
BOND        30
            1     1  15 1
            2     1   2 1
            3     1   3 2
            4     2   4 1
            5     2   5 2
            6     4   6 2
            7     5   7 1
            8     6   8 1
            9     6   9 1
            10    8  10 1
            11    9  11 1
            12   11  12 2
            13   12  13 1
            14   12  14 1
            15    7   8 2
            16   16  17 2
            17   16  18 1
            18   16  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 2
            22   19  23 1
            23   20  24 2
            24   20  25 1
            25   21  26 2
            26   22  27 1
            27   23  28 2
            28   24  15 1
            29   22  26 1
            30   23  24 1

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