COMPOUND: C04625
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Entry
C04625 Compound
Name
2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate;
3,5-Dichloro-2,5-dihydro-2-oxofuran-5-acetate
Formula
C6H4Cl2O4
Exact mass
209.9487
Mol weight
210.9996
Structure
Mol file
KCF file
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Reaction
R04345
R10097
Enzyme
5.5.1.11
Other DBs
PubChem:
7215
ChEBI:
16106
3DMET:
B00740
NIKKAJI:
J2.752.430C
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KCF data
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ATOM 12
1 C7x C 22.8900 -16.9400
2 C2y C 23.3100 -18.2700
3 C2x C 24.7100 -18.2700
4 C1z C 25.1300 -16.9400
5 O7x O 24.0100 -16.1700
6 O6a O 21.5600 -16.5200
7 C1b C 26.3200 -16.2400
8 C6a C 27.5800 -16.9400
9 O6a O 28.7700 -16.2400
10 O6a O 27.5800 -18.3400
11 X Cl 26.3900 -17.7800
12 X Cl 22.4824 -19.3992
BOND 12
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 4 11 1
12 2 12 1
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