KEGG   COMPOUND: C11721Help
Entry
C11721                      Compound                               

Name
Candoxatrilat
Formula
C20H33NO7
Exact mass
399.2257
Mol weight
399.4785
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 123898-42-0
PubChem: 13886
ChEBI: 3354
NIKKAJI: J388.083D
KCF data Show

ATOM        28
            1   C1z C    24.9521  -13.6660
            2   C1x C    26.0920  -12.8526
            3   C1x C    25.6667  -11.5142
            4   C1x C    24.2626  -11.5062
            5   C1x C    23.8245  -12.8361
            6   O2a O    21.3253  -11.5476
            7   C1b C    22.5343  -12.2538
            8   C1c C    22.5272  -13.6538
            9   C1b C    23.7361  -14.3599
            10  C6a C    21.3111  -14.3477
            11  O6a O    20.1023  -13.6416
            12  O6a O    21.3041  -15.7478
            13  C5a C    26.1611  -14.3722
            14  N1b N    27.3770  -13.6783
            15  O5a O    26.1539  -15.7722
            16  C1y C    28.5859  -14.3844
            17  C1x C    28.5727  -15.7839
            18  C1x C    29.7817  -16.4903
            19  C1y C    30.9976  -15.7963
            20  C1x C    31.0047  -14.3963
            21  C1x C    29.7957  -13.6901
            22  C6a C    32.2065  -16.5025
            23  C1b C    20.1324  -12.2289
            24  C1b C    18.9107  -11.5155
            25  O2a O    17.7063  -12.2026
            26  C1a C    16.4990  -11.4972
            27  O6a O    33.4183  -15.8111
            28  O6a O    32.1990  -17.9279
BOND        29
            1     4   5 1
            2    16  14 1 #Up
            3     6   7 1
            4     5   1 1
            5     8   7 1
            6     8   9 1
            7    16  17 1
            8    17  18 1
            9    18  19 1
            10   19  20 1
            11   20  21 1
            12   21  16 1
            13    1   2 1
            14   19  22 1 #Up
            15    8  10 1
            16   10  11 1
            17    2   3 1
            18   10  12 2
            19    9   1 1
            20    1  13 1
            21    3   4 1
            22   13  14 1
            23   13  15 2
            24    6  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   22  27 1
            29   22  28 2

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