KEGG   DRUG: Potassium benzoate
Entry
D05576                      Drug                                   
Name
Potassium benzoate (NF)
Formula
C7H5O2. K
Exact mass
159.9927
Mol weight
160.2117
Structure
Simcomp
Efficacy
Pharmaceutic aid (preservative)
Other DBs
CAS: 582-25-2
PubChem: 47207240
LigandBox: D05576
NIKKAJI: J43.329B
LinkDB
KCF data

ATOM        10
            1   C8x C    12.6700  -17.7100
            2   C8x C    12.6700  -19.1100
            3   C8x C    13.8824  -19.8100
            4   C8x C    15.0949  -19.1100
            5   C8x C    15.0949  -17.7100
            6   C8y C    13.8824  -17.0100
            7   C6a C    13.8824  -15.6102
            8   O6a O    12.6532  -14.9003
            9   O6a O    15.0780  -14.9198 #-
            10  Z   K    16.8700  -14.9100 #+
BOND        9
            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     6   7 1
            8     7   8 2
            9     7   9 1

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