KEGG   DRUG: Propyl gallate
Entry
D02382                      Drug                                   
Name
Propyl gallate (NF)
Formula
C10H12O5
Exact mass
212.0685
Mol weight
212.1993
Structure
Simcomp
Remark
Same as: C11155
Efficacy
Pharmaceutic aid (antioxidant)
Other DBs
CAS: 121-79-9
PubChem: 7849441
ChEBI: 10607
LigandBox: D02382
NIKKAJI: J2.925D
KCF data

ATOM        15
            1   C8x C    23.0171  -18.1088
            2   C8y C    23.0171  -19.5248
            3   C8y C    24.2464  -20.2329
            4   C8y C    25.4685  -19.5248
            5   C8x C    25.4685  -18.1088
            6   C8y C    24.2464  -17.4008
            7   O1a O    21.7870  -20.2256
            8   O1a O    24.2328  -21.6489
            9   O1a O    26.6859  -20.2329
            10  C7a C    24.2328  -15.9848
            11  O7a O    25.4558  -15.2695
            12  C1b C    26.6001  -15.9633
            13  O6a O    23.0027  -15.2767
            14  C1b C    27.7587  -15.2910
            15  C1a C    28.9172  -15.9561
BOND        15
            1     1   2 2
            2     3   8 1
            3     2   3 1
            4     4   9 1
            5     3   4 2
            6     6  10 1
            7     4   5 1
            8    10  11 1
            9     5   6 2
            10   11  12 1
            11    6   1 1
            12   10  13 2
            13   12  14 1
            14    2   7 1
            15   14  15 1

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Drug (1)   
   LigandBox (1)   
Chemical substance (6)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
All databases (7)   

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