KEGG   COMPOUND: C00850
Entry
C00850                      Compound                               
Name
Aryl sulfate;
Phenol sulfate
Formula
C6H6O4S
Exact mass
173.9987
Mol weight
174.18
Structure
Comment
Generic compound in reaction hierarchy
Reaction
R01242 R01243 R02996
Enzyme
2.8.2.1         2.8.2.22        3.1.6.1
Other DBs
PubChem: 4107
NIKKAJI: J32.910J
LinkDB
KCF data

ATOM        11
            1   C8y C    26.6086  -21.6057
            2   O2a O    26.6086  -20.2149
            3   C8x C    25.4039  -22.3043
            4   C8x C    27.8328  -22.3043
            5   S4a S    27.8134  -19.5100
            6   C8x C    25.4039  -23.7141
            7   C8x C    27.8328  -23.7141
            8   O1d O    29.0119  -18.8051
            9   O1d O    28.5183  -20.7149
            10  O1d O    27.1085  -18.3116
            11  C8x C    26.6086  -24.4254
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 2
            9     5  10 2
            10    6  11 2
            11    7  11 1

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