COMPOUND: C06644
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Entry
C06644 Compound
Name
1,1-Dichloro-2-(dihydroxy-4'-chlorophenyl)-2-(4'-chlorophenyl)ethylene;
3-[2,2-Dichloro-1-(4-chlorophenyl)vinyl]-6-chlorobenzene-1,2-diol;
2,3-Dihydroxy-DDE
Formula
C14H8Cl4O2
Exact mass
347.9278
Mol weight
350.0241
Structure
Mol file
KCF file
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Reaction
R05256
R12025
Pathway
map00621
Dioxin degradation
map01120
Microbial metabolism in diverse environments
map01220
Degradation of aromatic compounds
Enzyme
1.3.1.- 1.13.11.-
Other DBs
PubChem:
8870
ChEBI:
28959
3DMET:
B01013
NIKKAJI:
J2.762.571A
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All DBs
KCF data
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ATOM 20
1 C8y C 26.1489 -16.4508
2 C2c C 24.9377 -15.7462
3 C8y C 26.1489 -17.8543
4 C8x C 27.3660 -15.7462
5 C8y C 23.7206 -16.4508
6 C2c C 24.9377 -14.3486
7 C8y C 27.3660 -18.5472
8 O1a O 24.9377 -18.5472
9 C8x C 28.5774 -16.4508
10 C8x C 23.7206 -17.8484
11 C8x C 22.5152 -15.7462
12 X Cl 26.1548 -13.6498
13 X Cl 23.7264 -13.6498
14 C8y C 28.5774 -17.8543
15 O1a O 27.3660 -19.9507
16 C8x C 22.5152 -18.5472
17 C8x C 21.2981 -16.4508
18 X Cl 29.7885 -18.5472
19 C8y C 21.2981 -17.8484
20 X Cl 20.0927 -18.5472
BOND 21
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 7 14 2
14 7 15 1
15 10 16 2
16 11 17 1
17 14 18 1
18 16 19 1
19 19 20 1
20 9 14 1
21 17 19 2
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