KEGG   COMPOUND: C06336
Entry
C06336                      Compound                               

Name
3-Sulfocatechol;
2,3-Dihydroxybenzenesulfonate
Formula
C6H6O5S
Exact mass
189.9936
Mol weight
190.1738
Structure
Reaction
Pathway
map00362  Benzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.2       1.14.12.14
Other DBs
PubChem: 8572
ChEBI: 27802 33565
3DMET: B00942
NIKKAJI: J166.319D
KCF data

ATOM        12
            1   C8y C    28.7349  -17.8084
            2   C8y C    28.7349  -16.4280
            3   S4a S    29.9232  -18.4899
            4   C8x C    27.5465  -18.4782
            5   C8y C    27.5407  -15.7347
            6   O1a O    29.9465  -15.7230
            7   O1d O    31.3445  -19.3812
            8   O1d O    30.6631  -17.2199
            9   O1d O    28.9505  -19.5035
            10  C8x C    26.3523  -17.7968
            11  C8x C    26.2882  -16.4396
            12  O1a O    27.5348  -14.3366
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12   10  11 2

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