COMPOUND: C14802
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Entry
C14802 Compound
Name
1-Nitronaphthalene-7,8-oxide
Formula
C10H7NO3
Exact mass
189.0426
Mol weight
189.1675
Structure
Mol file
KCF file
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Reaction
R07021
R07023
R07024
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Enzyme
1.14.14.1
1.14.14.-
2.5.1.18
Other DBs
PubChem:
17395800
ChEBI:
34106
NIKKAJI:
J2.789.430E
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All DBs
KCF data
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ATOM 14
1 C1y C 22.8218 -19.9510
2 C2x C 22.8218 -21.3510
3 C2x C 24.0342 -22.0510
4 C8y C 25.2468 -21.3510
5 C8y C 25.2468 -19.9510
6 C1y C 24.0342 -19.2510
7 C8x C 26.4592 -22.0510
8 C8x C 27.6717 -21.3510
9 C8x C 27.6717 -19.9510
10 C8y C 26.4592 -19.2510
11 N2b N 26.4592 -17.8509 #+
12 O3a O 27.6738 -17.1497 #-
13 O3a O 25.2514 -17.1536
14 O2x O 22.8200 -18.5500
BOND 16
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 10 11 1
13 11 12 1
14 11 13 2
15 1 14 1
16 6 14 1
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