COMPOUND: C03861
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Entry
C03861 Compound
Name
Dibenzo[1,4]dioxin-2,3-dione;
Diphenylenedioxide-2,3-quinone
Formula
C12H6O4
Exact mass
214.0266
Mol weight
214.1736
Structure
Mol file
KCF file
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Reaction
R00080
Enzyme
1.1.3.14
1.10.3.1
Other DBs
PubChem:
6597
ChEBI:
17036
3DMET:
B00646
NIKKAJI:
J2.751.258E
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KCF data
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ATOM 16
1 C8y C 19.0120 -15.4797
2 C8y C 19.0056 -14.0730
3 O2x O 17.7953 -16.1767
4 C8x C 20.2476 -16.1767
5 O2x O 17.7891 -13.3760
6 C8x C 20.2222 -13.3506
7 C8y C 16.5786 -15.4734
8 C8y C 21.4070 -15.4670
9 C8y C 16.5786 -14.0792
10 C8y C 21.4516 -14.0476
11 C8x C 15.3684 -16.1767
12 O5x O 22.6045 -16.1513
13 C8x C 15.3684 -13.3949
14 O5x O 22.6427 -13.3442
15 C8x C 14.1773 -15.4734
16 C8x C 14.1773 -14.0792
BOND 18
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 7 11 1
11 8 12 2
12 9 13 1
13 10 14 2
14 11 15 2
15 13 16 2
16 7 9 2
17 8 10 1
18 15 16 1
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