KEGG   DRUG: Saccharin sodium
Entry
D08500                      Drug                                   
Name
Saccharin sodium;
Hermesetas original (TN)
Formula
C7H4NO3S. Na
Exact mass
204.981
Mol weight
205.1663
Structure
Simcomp
Remark
Same as: C12284
Chemical structure group: DG01356
Product (DG01356): D02192<JP>
Efficacy
Sweetening
Other DBs
CAS: 128-44-9
PubChem: 96025185
ChEBI: 32112
LigandBox: D08500
NIKKAJI: J5.174H
KCF data

ATOM        13
            1   C8y C    23.4500  -17.3600
            2   C8y C    23.4500  -18.7600
            3   S2x S    24.7800  -19.1800
            4   N1x N    25.6200  -18.0600 #-
            5   C5x C    24.7800  -16.9400
            6   C8x C    21.0000  -18.7600
            7   C8x C    22.2600  -19.4600
            8   C8x C    22.2600  -16.6600
            9   C8x C    21.0000  -17.3600
            10  O5x O    25.1300  -15.5400
            11  O3c O    24.0800  -20.3700
            12  O3c O    25.9700  -19.8800
            13  Z   Na   27.3700  -18.1300 #+
BOND        13
            1     1   2 2
            2     6   7 2
            3     7   2 1
            4     1   8 1
            5     8   9 2
            6     9   6 1
            7     2   3 1
            8     5  10 2
            9     3   4 1
            10    3  11 2
            11    4   5 1
            12    3  12 2
            13    5   1 1

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Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (4)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (6)   

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