KEGG   COMPOUND: C11105
Entry
C11105                      Compound                               
Name
5-Methyl-3-isoxazolyl sulfate
Formula
C4H5NO5S
Exact mass
178.9888
Mol weight
179.1512
Structure
Other DBs
PubChem: 13287
ChEBI: 2131
NIKKAJI: J2.788.914J
LinkDB
KCF data

ATOM        11
            1   C8y C    28.4200  -18.1300
            2   N5x N    28.0245  -16.8128
            3   O2x O    29.1874  -16.0024
            4   C8y C    30.2680  -16.8758
            5   C8x C    29.8216  -18.1519
            6   C1a C    31.5032  -16.1329
            7   O2a O    27.2300  -18.8300
            8   S4a S    25.8300  -18.8300
            9   O1d O    24.4300  -18.8300
            10  O1d O    25.8300  -17.4300
            11  O1d O    25.8300  -20.2300
BOND        11
            1     4   6 1
            2     1   2 2
            3     1   7 1
            4     2   3 1
            5     7   8 1
            6     3   4 1
            7     8   9 1
            8     4   5 2
            9     8  10 2
            10    5   1 1
            11    8  11 2

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