KEGG   DRUG: Benzyl hydroxybenzoate
Entry
D07518                      Drug                                   
Name
Benzyl hydroxybenzoate;
Benzylparaben;
Nisapulvol (TN)
Formula
C14H12O3
Exact mass
228.0786
Mol weight
228.2433
Structure
Simcomp
Remark
Same as: C14393
Efficacy
Antiseptic, Desinfectant
Other DBs
CAS: 94-18-8
PubChem: 51091841
ChEBI: 34571
LigandBox: D07518
NIKKAJI: J61.591I
KCF data

ATOM        17
            1   C8x C    16.1700  -21.5600
            2   C8x C    16.1700  -22.9600
            3   C8y C    17.3824  -23.6600
            4   C8x C    18.5949  -22.9600
            5   C8x C    18.5949  -21.5600
            6   C8y C    17.3824  -20.8600
            7   O1a O    17.3824  -25.0598
            8   C7a C    17.3824  -19.4602
            9   O7a O    16.1532  -18.7503
            10  O6a O    18.5780  -18.7698
            11  C1b C    14.9492  -19.4454
            12  C8y C    13.7663  -18.7623
            13  C8x C    13.7663  -17.3602
            14  C8x C    12.5539  -16.6601
            15  C8x C    11.3414  -17.3601
            16  C8x C    11.3414  -18.7622
            17  C8x C    12.5538  -19.4622
BOND        18
            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     3   7 1
            8     6   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1

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  All links  
Drug (1)   
   LigandBox (1)   
Chemical substance (4)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (5)   

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