COMPOUND: C16015
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Entry
C16015 Compound
Name
(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol
Formula
C14H14O2
Exact mass
214.0994
Mol weight
214.2598
Structure
Mol file
KCF file
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Reaction
R07627
Enzyme
3.3.2.9
Other DBs
PubChem:
47205326
ChEBI:
50014
PDB-CCD:
7F6
[
PDBj
]
NIKKAJI:
J236.668A
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KCF data
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ATOM 16
1 O1a O 24.9900 -21.1400
2 C1c C 24.2900 -19.9500
3 C1c C 22.8900 -19.9500
4 O1a O 22.1200 -18.8300
5 C8y C 24.9200 -18.7600
6 C8y C 22.1900 -21.2100
7 C8x C 22.8900 -22.4000
8 C8x C 22.2600 -23.6600
9 C8x C 20.8600 -23.6600
10 C8x C 20.1600 -22.5400
11 C8x C 20.7900 -21.2800
12 C8x C 24.2200 -17.5700
13 C8x C 24.8500 -16.3100
14 C8x C 26.2500 -16.3100
15 C8x C 27.0200 -17.4300
16 C8x C 26.3200 -18.6900
BOND 17
1 1 2 1
2 2 3 1
3 3 4 1
4 2 5 1 #Up
5 3 6 1 #Up
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 6 11 1
12 5 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 5 16 1
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