KEGG   COMPOUND: C16201Help
Entry
C16201                      Compound                               

Name
1-Naphthalenesulfonic acid;
Naphthalene-1-sulfonate
Formula
C10H8O3S
Exact mass
208.0194
Mol weight
208.2337
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00626  Naphthalene degradation
Enzyme
1.14.99.-
Other DBs
CAS: 85-47-2
PubChem: 47205509
ChEBI: 30895
ChEMBL: CHEMBL1160029
NIKKAJI: J124.113C
LinkDB All DBs
KCF data Show

ATOM        14
            1   C8x C    22.1200  -18.8300
            2   C8x C    22.1200  -20.2300
            3   C8x C    23.3324  -20.9300
            4   C8y C    24.5449  -20.2300
            5   C8y C    24.5449  -18.8300
            6   C8x C    23.3324  -18.1300
            7   C8x C    25.7573  -20.9300
            8   C8x C    26.9697  -20.2300
            9   C8x C    26.9697  -18.8300
            10  C8y C    25.7573  -18.1300
            11  S4a S    25.7573  -16.7300
            12  O1d O    27.1573  -16.7300
            13  O1d O    24.3573  -16.7300
            14  O1d O    25.7573  -15.3300
BOND        15
            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     8   9 1
            10    9  10 2
            11    5  10 1
            12   10  11 1
            13   11  12 2
            14   11  13 2
            15   11  14 1

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