KEGG   COMPOUND: C01408
Entry
C01408                      Compound                               
Name
Benzoin;
2-Hydroxy-1,2-diphenylethanone;
Benzoin tincture
Formula
C14H12O2
Exact mass
212.0837
Mol weight
212.24
Structure
Reaction
R00027
Enzyme
4.1.2.38
Other DBs
CAS: 119-53-9
PubChem: 4597
ChEBI: 17682
NIKKAJI: J20.621K
LinkDB
KCF data

ATOM        16
            1   C8y C    29.1900  -17.8489
            2   C1c C    27.9786  -18.5511
            3   C8x C    30.3957  -18.5511
            4   C8x C    29.1843  -16.4502
            5   C5a C    26.7672  -17.8489
            6   O1a O    27.9786  -19.9498
            7   C8x C    31.6072  -17.8489
            8   C8x C    30.3957  -15.7479
            9   C8y C    25.5557  -18.5511
            10  O5a O    26.7672  -16.4502
            11  C8x C    31.6072  -16.4502
            12  C8x C    24.3385  -17.8489
            13  C8x C    25.5557  -19.9498
            14  C8x C    23.1271  -18.5511
            15  C8x C    24.3385  -20.6521
            16  C8x C    23.1271  -19.9498
BOND        17
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    7  11 2
            11    9  12 2
            12    9  13 1
            13   12  14 1
            14   13  15 2
            15   14  16 2
            16    8  11 1
            17   15  16 1

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