KEGG   COMPOUND: C16880Help
Entry
C16880                      Compound                               

Name
S 1319
Formula
C10H12N2O3S
Exact mass
240.0569
Mol weight
240.2789
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 220752-37-4
PubChem: 96023386
ChEBI: 80776
ChEMBL: CHEMBL29141
NIKKAJI: J1.110.783D
KCF data Show

ATOM        16
            1   C8x C    19.3900  -15.4700
            2   C8x C    19.3900  -16.8700
            3   C8y C    20.6024  -17.5700
            4   C8y C    21.8149  -16.8700
            5   C8y C    21.8149  -15.4700
            6   C8y C    20.6024  -14.7700
            7   N4x N    23.1464  -17.3026
            8   C8y C    23.9693  -16.1700
            9   S2x S    23.1464  -15.0374
            10  O5x O    25.3400  -16.1700
            11  C1c C    20.6024  -13.3702
            12  C1b C    19.3732  -12.6603
            13  O1a O    21.7980  -12.6798
            14  N1b N    18.1692  -13.3554
            15  C1a C    16.9863  -12.6723
            16  O1a O    20.6024  -18.9698
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12    6  11 1
            13   11  12 1
            14   11  13 1
            15   12  14 1
            16   14  15 1
            17    3  16 1

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