KEGG   COMPOUND: C17362
Entry
C17362                      Compound                               
Name
Clavamycin B
Formula
C13H22N4O8
Exact mass
362.1438
Mol weight
362.3358
Structure
Other DBs
PubChem: 96023715
ChEBI: 81031
NIKKAJI: J41.467K
LinkDB
KCF data

ATOM        25
            1   C1x C    23.5794  -17.7707
            2   C5x C    23.5794  -19.1698
            3   N1y N    24.9785  -19.1698
            4   C1y C    24.9785  -17.7707
            5   C1x C    26.3090  -19.6019
            6   C1y C    27.1312  -18.4702
            7   O2x O    26.3090  -17.3385
            8   O5x O    22.5903  -20.1589
            9   C1c C    28.3584  -17.7707
            10  C1c C    29.5700  -18.4702
            11  N1a N    30.7997  -17.7598
            12  C5a C    29.5701  -19.8696
            13  O1a O    28.3621  -16.3801
            14  N1b N    30.7641  -20.5593
            15  O5a O    28.3306  -20.5853
            16  C1c C    30.7644  -22.9596
            17  C6a C    31.9510  -23.6449
            18  C1c C    29.5263  -23.6749
            19  C1c C    28.3177  -22.9774
            20  O1a O    29.5268  -25.0599
            21  C1b C    27.1372  -23.6594
            22  N1a N    25.9421  -22.9696
            23  O6a O    33.1337  -22.9622
            24  O6a O    31.9513  -25.0597
            25  O1a O    28.3169  -21.7004
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     2   8 2
            10    6   9 1 #Up
            11    9  10 1
            12   10  11 1
            13   10  12 1 #Up
            14    9  13 1
            15   12  14 1
            16   12  15 2
            17   14  16 1
            18   16  17 1 #Up
            19   16  18 1
            20   18  19 1
            21   18  20 1
            22   19  21 1
            23   21  22 1
            24   17  23 1
            25   17  24 2
            26   19  25 1 #Up

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