KEGG   COMPOUND: C05613
Entry
C05613                      Compound                               
Name
Benzylformate
Formula
C8H8O2
Exact mass
136.0524
Mol weight
136.1479
Structure
Other DBs
CAS: 104-57-4
PubChem: 7933
ChEBI: 3057
3DMET: B00808
NIKKAJI: J53.979A
KCF data

ATOM        10
            1   C8y C    26.9541  -18.2690
            2   C8x C    26.9541  -19.6681
            3   C8x C    25.7423  -17.5665
            4   C1b C    28.1659  -17.5723
            5   C8x C    25.7423  -20.3706
            6   C8x C    24.5305  -18.2690
            7   O2a O    29.3777  -18.2690
            8   C8x C    24.5305  -19.6681
            9   C7a C    30.5953  -17.5723
            10  O6a O    31.8071  -18.2748
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     9  10 2
            10    6   8 2

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