KEGG   COMPOUND: C06667
Entry
C06667                      Compound                               
Name
Clavamycin A
Formula
C16H22N4O9
Exact mass
414.1387
Mol weight
414.3673
Structure
Other DBs
CAS: 103059-93-4
PubChem: 8892
ChEBI: 3734
KNApSAcK: C00017761
NIKKAJI: J41.468I
LinkDB
KCF data

ATOM        29
            1   C1y C    21.7323  -17.9234
            2   N1y N    21.7264  -19.3220
            3   O2x O    23.0610  -17.4978
            4   C1x C    20.3335  -17.9234
            5   C1x C    23.0552  -19.7592
            6   C5x C    20.3335  -19.3162
            7   C1y C    23.8771  -18.6284
            8   O5x O    19.3369  -20.2953
            9   C1c C    26.4746  -18.7132
            10  N1b N    27.6532  -19.3928
            11  C5a C    28.8422  -18.7052
            12  C6a C    26.4741  -17.3025
            13  O6a O    25.2423  -16.5917
            14  O6a O    27.6591  -16.6176
            15  C1c C    30.0276  -19.3887
            16  O5a O    28.8415  -17.3024
            17  C1c C    31.2132  -18.7031
            18  C1y C    32.5408  -19.3916
            19  O1a O    31.2124  -17.3024
            20  C1x C    33.3741  -20.5108
            21  N1y N    34.6263  -20.0640
            22  C1y C    34.6796  -18.6687
            23  O2x O    33.3476  -18.2532
            24  C5x C    36.0217  -20.1173
            25  C1x C    36.0750  -18.7221
            26  O5x O    37.0431  -21.0944
            27  N1a N    30.0287  -20.7904
            28  C1c C    25.2939  -19.3954
            29  O1a O    25.2432  -20.7805
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     6   8 2
            8     4   6 1
            9     5   7 1
            10    9  10 1
            11   10  11 1
            12    9  12 1
            13   12  13 1
            14   12  14 2
            15   11  15 1
            16   11  16 2
            17   15  17 1
            18   18  17 1 #Down
            19   17  19 1
            20   18  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   18  23 1
            25   21  24 1
            26   24  25 1
            27   22  25 1
            28   24  26 2
            29   15  27 1
            30    9  28 1
            31    7  28 1 #Up
            32   28  29 1

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