KEGG   COMPOUND: C14393
Entry
C14393                      Compound                               
Name
Benzylparaben;
Benzyl parahydroxybenzoate;
Benzyl 4-hydroxybenzoate
Formula
C14H12O3
Exact mass
228.0786
Mol weight
228.2433
Structure
Remark
Same as: D07518
Other DBs
CAS: 94-18-8
PubChem: 17395393
ChEBI: 34571
NIKKAJI: J61.591I
LinkDB
KCF data

ATOM        17
            1   O7a O    29.2675  -17.3839
            2   C1b C    28.0701  -18.1018
            3   C8y C    26.7795  -17.4237
            4   C8x C    26.8264  -16.0575
            5   C8x C    25.6056  -15.3799
            6   C8x C    24.4084  -16.0984
            7   C8x C    24.4317  -17.4645
            8   C8x C    25.6523  -18.1421
            9   C7a C    30.4755  -18.0547
            10  C8y C    31.6549  -17.3471
            11  O6a O    30.4291  -19.4591
            12  C8x C    32.8729  -18.0234
            13  C8x C    34.0734  -17.3032
            14  C8y C    34.1200  -15.9034
            15  C8x C    32.8320  -15.2271
            16  C8x C    31.6315  -15.9473
            17  O1a O    35.3130  -15.2087
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     3   8 1
            9     1   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   10  16 1
            18   14  17 1

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