KEGG   COMPOUND: C20629
Entry
C20629                      Compound                               
Name
8-Demethylnovobiocic acid
Formula
C21H19NO6
Exact mass
381.1212
Mol weight
381.38
Structure
Reaction
R10453 R10454
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
LinkDB
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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