COMPOUND: C04367
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Entry
C04367 Compound
Name
3-(3,5-Diiodo-4-hydroxyphenyl)lactate
Formula
C9H8I2O4
Exact mass
433.8512
Mol weight
433.9664
Structure
Mol file
KCF file
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Reaction
R03431
Enzyme
1.1.1.96
Other DBs
PubChem:
7011
ChEBI:
16122
NIKKAJI:
J2.750.290C
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KCF data
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ATOM 15
1 C8y C 28.0000 -15.5400
2 C8x C 28.0000 -16.9400
3 C8x C 26.7400 -14.8400
4 C1b C 29.1900 -14.8400
5 C8y C 26.7400 -17.6400
6 C8y C 25.5500 -15.5400
7 C1c C 30.3800 -15.5400
8 C8y C 25.5500 -16.9400
9 X I 26.7400 -19.1100
10 X I 24.3600 -14.8400
11 C6a C 31.6400 -14.8400
12 O1a O 30.3800 -16.9400
13 O1a O 24.3600 -17.6400
14 O6a O 31.6400 -13.4400
15 O6a O 32.8300 -15.5400
BOND 15
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 5 9 1
9 6 10 1
10 7 11 1
11 7 12 1
12 8 13 1
13 11 14 2
14 11 15 1
15 6 8 2
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