KEGG   COMPOUND: C08473
Entry
C08473                      Compound                               
Name
Cibarian;
beta-D-Glucopyranose, 1,6-bis(3-nitropropanoate)
Formula
C12H18N2O12
Exact mass
382.086
Mol weight
382.2775
Structure
Other DBs
CAS: 39797-90-5
PubChem: 10666
ChEBI: 3692
KNApSAcK: C00001531
NIKKAJI: J585.943C
LinkDB
KCF data

ATOM        26
            1   C1y C    29.8271  -18.8299
            2   O2x O    28.6128  -18.1352
            3   C1y C    29.8271  -20.2366
            4   O7a O    31.0295  -18.1294
            5   C1y C    27.3928  -18.8299
            6   C1y C    28.6128  -20.9429
            7   O1a O    31.0295  -20.9429
            8   C7a C    32.2435  -18.8182
            9   C1y C    27.3928  -20.2366
            10  C1b C    26.1845  -18.1352
            11  O1a O    28.6011  -22.3439
            12  C1b C    33.4578  -18.1178
            13  O6a O    32.2378  -20.2192
            14  O1a O    26.1787  -20.9312
            15  O7a O    24.9704  -18.8240
            16  C1b C    34.6719  -18.8123
            17  C7a C    23.7620  -18.1294
            18  N2b N    35.8802  -18.1118 #+
            19  C1b C    22.5480  -18.8182
            20  O6a O    23.7504  -16.7225
            21  O3a O    35.9385  -16.7109
            22  O3a O    37.0885  -18.8066 #-
            23  C1b C    21.3337  -18.1178
            24  N2b N    20.1196  -18.8123 #+
            25  O3a O    20.1137  -20.2133
            26  O3a O    18.8996  -18.1118 #-
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 1
            12    8  13 2
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   17  20 2
            20   18  21 2
            21   18  22 1
            22   19  23 1
            23   23  24 1
            24   24  25 2
            25   24  26 1
            26    6   9 1

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