COMPOUND: C06336
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Entry
C06336 Compound
Name
3-Sulfocatechol;
2,3-Dihydroxybenzenesulfonate
Formula
C6H6O5S
Exact mass
189.9936
Mol weight
190.1738
Structure
Mol file
KCF file
DB search
Reaction
R05156
R07795
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
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KCF data
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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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