KEGG   DRUG: D01647Help
Entry
D01647                      Drug                                   
Name
Ethyl parahydroxybenzoate (JP16);
Ethylparaben (NF);
Ethyl parahydroxybenzoate (TN)
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Pharmaceutic aid [antifungal agent]
Structure map
Benzoic acid family
Other DBs
CAS: 
120-47-8
PubChem: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C8x C     7.4200  -13.7200
            2   C8x C     7.4200  -15.1200
            3   C8y C     8.6324  -15.8200
            4   C8x C     9.8449  -15.1200
            5   C8x C     9.8449  -13.7200
            6   C8y C     8.6324  -13.0200
            7   C7a C     8.6324  -11.6202
            8   O1a O     8.6324  -17.2198
            9   O7a O     7.4032  -10.9103
            10  O6a O     9.8280  -10.9298
            11  C1b C     6.1992  -11.6054
            12  C1a C     5.0163  -10.9223
BOND        12
            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     3   8 1
            9     7   9 1
            10    7  10 2
            11    9  11 1
            12   11  12 1

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