KEGG   COMPOUND: C04561
Entry
C04561                      Compound                               
Name
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
Formula
C12H16O3
Exact mass
208.1099
Mol weight
208.2536
Structure
Reaction
Enzyme
Other DBs
PubChem: 7164
ChEBI: 16239
NIKKAJI: J2.751.660B
KCF data

ATOM        15
            1   C8y C    15.6124  -17.1948
            2   C1b C    16.8181  -16.4959
            3   C8x C    15.6124  -18.6058
            4   C8x C    14.3876  -16.4959
            5   O7a O    18.0301  -17.1948
            6   C8x C    14.3876  -19.3176
            7   C8x C    13.1819  -17.1948
            8   C7a C    19.2358  -16.4894
            9   C8x C    13.1819  -18.6058
            10  C1c C    20.4413  -17.1885
            11  O6a O    19.2358  -15.0977
            12  C1c C    21.6470  -16.4894
            13  C1a C    20.4413  -18.5865
            14  C1a C    22.8591  -17.1885
            15  O1a O    21.6470  -15.0977
BOND        15
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     6   9 2
            9     8  10 1
            10    8  11 2
            11   10  12 1
            12   10  13 1 #Up
            13   12  14 1
            14   12  15 1 #Up
            15    7   9 1

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