KEGG   COMPOUND: C02180
Entry
C02180                      Compound                               
Name
Phenylsulfate;
Phenol sulfate
Formula
C6H6O4S
Exact mass
173.9987
Mol weight
174.1744
Structure
Other DBs
CAS: 937-34-8
PubChem: 5252
ChEBI: 27905
3DMET: B00397
NIKKAJI: J32.910J
LinkDB
KCF data

ATOM        11
            1   C8y C    17.8588  -15.0259
            2   O2a O    17.8588  -13.6351
            3   C8x C    16.6541  -15.7245
            4   C8x C    19.0830  -15.7245
            5   S4a S    19.0636  -12.9302
            6   C8x C    16.6541  -17.1343
            7   C8x C    19.0830  -17.1343
            8   O1d O    20.2622  -12.2253
            9   O1d O    19.7686  -14.1351
            10  O1d O    18.3587  -11.7318
            11  C8x C    17.8588  -17.8456
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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