COMPOUND: C02807
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Entry
C02807 Compound
Name
Acenaphthenequinone;
Acenaphthoquinone;
1,2-Diketoacenaphthene
Formula
C12H6O2
Exact mass
182.0368
Mol weight
182.17
Structure
Mol file
KCF file
DB search
Reaction
R04059
Enzyme
1.10.1.1
Other DBs
CAS:
82-86-0
PubChem:
5757
ChEBI:
15342
PDB-CCD:
ANQ
[
PDBj
]
NIKKAJI:
J192.605E
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KCF data
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ATOM 14
1 C8y C 28.7701 -20.7605
2 C8y C 27.5741 -20.0842
3 C8y C 29.9600 -20.0717
4 C8y C 28.7701 -22.1383
5 C5x C 27.9247 -18.6941
6 C8x C 26.3906 -20.7605
7 C5x C 29.6155 -18.6941
8 C8x C 31.1622 -20.7544
9 C8x C 27.5741 -22.8333
10 C8x C 29.9725 -22.8333
11 O5x O 27.0919 -17.6170
12 C8x C 26.3906 -22.1383
13 O5x O 30.4483 -17.6232
14 C8x C 31.1435 -22.1320
BOND 16
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 3 8 2
8 4 9 1
9 4 10 1
10 5 11 2
11 6 12 1
12 7 13 2
13 8 14 1
14 5 7 1
15 9 12 2
16 10 14 2
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