KEGG   COMPOUND: C12474
Entry
C12474                      Compound                               
Name
Novobiocic acid
Formula
C22H21NO6
Exact mass
395.1369
Mol weight
395.4052
Structure
Reaction
R06770 R10454
Pathway
map00401  Novobiocin biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.284       2.4.1.302
Other DBs
CAS: 485-23-4
PubChem: 582864
ChEBI: 31923
3DMET: B04527
NIKKAJI: J1.895.111H
LinkDB
KCF data

ATOM        29
            1   C5a C    26.9658  -15.4106
            2   C8y C    28.2410  -16.1145
            3   O5a O    26.9658  -14.0157
            4   C8x C    28.1767  -17.5152
            5   C8x C    29.3776  -15.4163
            6   C8y C    29.3833  -18.2122
            7   C8x C    30.5885  -16.1087
            8   C8y C    30.5944  -17.5095
            9   C1b C    29.3833  -19.6059
            10  O1a O    31.7996  -18.1935
            11  C2b C    30.5944  -20.3097
            12  C2c C    30.5944  -21.7048
            13  C1a C    31.7996  -22.4016
            14  C1a C    29.3833  -22.4016
            15  N1b N    25.7396  -16.1193
            16  C8y C    21.9197  -14.1300
            17  C8y C    21.9197  -15.5143
            18  C8y C    20.7238  -13.4471
            19  O7x O    23.1285  -13.4297
            20  C8y C    23.1344  -16.2099
            21  C8x C    20.7238  -16.2156
            22  C8y C    19.5339  -14.1300
            23  C1a C    20.7180  -12.0802
            24  C8y C    24.3359  -14.1184
            25  C8y C    24.3475  -15.5200
            26  O1a O    23.1344  -17.5825
            27  C8x C    19.5339  -15.5143
            28  O1a O    18.3566  -13.4530
            29  O6a O    25.5201  -13.4355
BOND        31
            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   18  23 1
            23   19  24 1
            24   20  25 2
            25   20  26 1
            26   21  27 2
            27   22  28 1
            28   24  29 2
            29   25  15 1
            30   22  27 1
            31   24  25 1

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