COMPOUND: C04561
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Entry
C04561 Compound
Name
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
Formula
C12H16O3
Exact mass
208.1099
Mol weight
208.2536
Structure
Mol file
KCF file
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Reaction
R04370
Enzyme
1.1.1.217
Other DBs
PubChem:
7164
ChEBI:
16239
NIKKAJI:
J2.751.660B
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KCF data
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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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