KEGG   COMPOUND: C16747
Entry
C16747                      Compound                               
Name
Spergualin
Formula
C17H37N7O4
Exact mass
403.2907
Mol weight
403.5202
Structure
Other DBs
CAS: 80902-43-8
PubChem: 96023271
ChEBI: 80701
KNApSAcK: C00018395
NIKKAJI: J209.338C
LinkDB
KCF data

ATOM        28
            1   N1a N     8.8200  -14.1400
            2   C2c C    10.0324  -13.4400
            3   N1b N    11.2449  -14.1400
            4   C1b C    12.4573  -13.4400
            5   C1b C    13.6697  -14.1400
            6   C1b C    14.8822  -13.4400
            7   C1b C    16.0946  -14.1400
            8   C1c C    17.3070  -13.4400
            9   C1b C    18.5195  -14.1400
            10  C5a C    19.7319  -13.4400
            11  N1b N    20.9444  -14.1400
            12  C1c C    22.1568  -13.4400
            13  C5a C    23.3692  -14.1400
            14  N1b N    24.5817  -13.4400
            15  C1b C    25.7941  -14.1400
            16  C1b C    27.0065  -13.4400
            17  C1b C    28.2190  -14.1400
            18  C1b C    29.4314  -13.4400
            19  N1b N    30.6438  -14.1400
            20  C1b C    31.8563  -13.4400
            21  C1b C    33.0687  -14.1400
            22  C1b C    34.2811  -13.4400
            23  N1a N    35.4936  -14.1400
            24  N2a N    10.0324  -12.0402
            25  O5a O    19.7319  -12.0400
            26  O5a O    23.3692  -15.5400
            27  O1a O    17.3070  -12.0401
            28  O1a O    22.1568  -12.0404
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    2  24 2
            24   10  25 2
            25   13  26 2
            26    8  27 1 #Down
            27   12  28 1 #Up

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