COMPOUND: C06651
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Entry
C06651 Compound
Name
6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate
Formula
C14H9Cl5O4
Exact mass
415.8943
Mol weight
418.48
Structure
Mol file
KCF file
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Reaction
R05257
R05472
Enzyme
1.13.11.-
Other DBs
PubChem:
8877
ChEBI:
29000
NIKKAJI:
J2.763.292K
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KCF data
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ATOM 23
1 C8y C 27.0241 -16.2530
2 C1c C 28.2409 -15.5543
3 C8x C 27.0241 -17.6503
4 C8x C 25.8131 -15.5543
5 C5a C 29.4520 -16.2530
6 C1d C 28.2409 -14.1570
7 C8x C 25.8131 -18.3547
8 C8x C 24.5963 -16.2530
9 C2b C 30.6630 -15.5602
10 O5a O 29.4520 -17.6561
11 X Cl 28.1920 -12.6125
12 X Cl 27.0241 -13.4525
13 X Cl 29.3117 -13.5379
14 C8y C 24.5963 -17.6503
15 C2b C 31.8682 -16.2530
16 X Cl 23.3853 -18.3547
17 C2c C 31.8682 -17.6561
18 C2c C 33.0791 -18.3606
19 X Cl 30.6572 -18.3490
20 C6a C 33.0791 -19.7580
21 O1a O 34.2960 -17.6561
22 O6a O 31.8625 -20.4567
23 O6a O 34.2902 -20.4567
BOND 23
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 9 15 2
15 14 16 1
16 15 17 1
17 17 18 2
18 17 19 1
19 18 20 1
20 18 21 1
21 20 22 1
22 20 23 2
23 8 14 2
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