KEGG   COMPOUND: C16199Help
Entry
C16199                      Compound                               

Name
5-Sulfosalicylate;
Sulfosalicylic acid
Formula
C7H6O6S
Exact mass
217.9885
Mol weight
218.1839
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00626  Naphthalene degradation
Other DBs
CAS: 97-05-2
PubChem: 47205507
ChEBI: 68555
ChEMBL: CHEMBL229241
NIKKAJI: J8.317H
LinkDB All DBs
KCF data Show

ATOM        14
            1   C8x C    32.8300  -25.6200
            2   C8y C    32.8300  -27.0200
            3   C8x C    34.0200  -27.7200
            4   C8y C    35.2100  -27.0200
            5   C8y C    35.2100  -25.6200
            6   C8x C    34.0200  -24.9900
            7   C6a C    36.4000  -27.7200
            8   O6a O    37.6600  -27.0200
            9   O1a O    36.4000  -24.9900
            10  S4a S    31.6400  -27.7200
            11  O1d O    30.8700  -26.5300
            12  O1d O    32.5500  -28.9100
            13  O1d O    30.3800  -28.3500
            14  O6a O    36.4000  -29.1200
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     5   9 1
            10    2  10 1
            11   10  11 2
            12   10  12 2
            13   10  13 1
            14    7  14 1

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