KEGG   COMPOUND: C08055
Entry
C08055                      Compound                               
Name
Aminosalicylate sodium anhydrous;
Sodium p-aminosalicylate
Formula
C7H6NO3. Na
Exact mass
175.0245
Mol weight
175.1172
Structure
Other DBs
CAS: 133-10-8
PubChem: 10255
ChEBI: 2661
NIKKAJI: J811G
LinkDB
KCF data

ATOM        12
            1   C8y C    20.2426  -16.8240
            2   C8y C    21.4709  -17.5226
            3   C8x C    19.0434  -17.5226
            4   C6a C    20.2426  -15.4211
            5   C8x C    21.4709  -18.9255
            6   O1a O    22.6760  -16.8181
            7   C8x C    19.0434  -18.9255
            8   O6a O    19.0317  -14.7341
            9   O6a O    21.4535  -14.7224 #-
            10  C8y C    20.2426  -19.6358
            11  N1a N    20.2426  -21.0273
            12  Z   Na   23.4678  -13.7211 #+
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10   10  11 1
            11    7  10 2

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