KEGG   COMPOUND: C13731
Entry
C13731                      Compound                               
Name
NS-102
Formula
C12H11N3O4
Exact mass
261.075
Mol weight
261.2334
Structure
Other DBs
CAS: 136623-01-3
PubChem: 586320
ChEBI: 34880
NIKKAJI: J556.814E
LinkDB
KCF data

ATOM        19
            1   C1x C    25.0272  -16.7604
            2   C1x C    25.0272  -18.1605
            3   C1x C    27.4509  -16.7604
            4   C1x C    26.2426  -16.0604
            5   C8y C    27.4509  -18.1605
            6   C8y C    26.2392  -18.8546
            7   C8y C    26.2345  -20.2511
            8   C8x C    27.4414  -20.9534
            9   C8y C    28.6579  -18.8629
            10  C8y C    28.6492  -20.2688
            11  C2y C    29.9838  -20.7116
            12  C5x C    30.8169  -19.5791
            13  N1x N    29.9977  -18.4366
            14  N2b N    30.4083  -22.0456
            15  O5x O    32.2170  -19.5876
            16  N2b N    25.0195  -20.9469
            17  O1b O    29.4652  -23.0803
            18  O3a O    25.0148  -22.3470
            19  O3a O    23.8095  -20.2428
BOND        21
            1     3   4 1
            2     4   1 1
            3     1   2 1
            4     2   6 1
            5     9  10 2
            6    10  11 1
            7    11  12 1
            8    12  13 1
            9    13   9 1
            10    5   3 1
            11   11  14 2
            12    5   6 2
            13   12  15 2
            14    6   7 1
            15    7  16 1
            16    7   8 2
            17   14  17 1
            18    8  10 1
            19   16  18 2
            20    9   5 1
            21   16  19 2

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