KEGG   COMPOUND: C11155
Entry
C11155                      Compound                               
Name
n-Propyl gallate;
Propyl gallate
Formula
C10H12O5
Exact mass
212.0685
Mol weight
212.1993
Structure
Remark
Same as: D02382
Other DBs
CAS: 121-79-9
PubChem: 13337
ChEBI: 10607
NIKKAJI: J2.925D
KCF data

ATOM        15
            1   C8x C    23.0404  -18.0621
            2   C8y C    23.0404  -19.4782
            3   C8y C    24.2697  -20.1862
            4   C8y C    25.4918  -19.4782
            5   C8x C    25.4918  -18.0621
            6   C8y C    24.2697  -17.3541
            7   O1a O    21.8103  -20.1790
            8   O1a O    24.2562  -21.6022
            9   O1a O    26.7092  -20.1862
            10  C7a C    24.2562  -15.9381
            11  O7a O    25.4791  -15.2229
            12  C1b C    26.6234  -15.9166
            13  O6a O    23.0260  -15.2301
            14  C1b C    27.7820  -15.2443
            15  C1a C    28.9406  -15.9094
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

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
All databases (6)   

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