COMPOUND: C14801
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Entry
C14801 Compound
Name
1-Nitro-5,6-dihydroxy-dihydronaphthalene;
1,2-Dihydro-5-nitro-1,2-naphthalenediol
Formula
C10H9NO4
Exact mass
207.0532
Mol weight
207.1828
Structure
Mol file
KCF file
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Reaction
R07027
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Enzyme
3.3.2.9
Other DBs
PubChem:
17395799
ChEBI:
34099
NIKKAJI:
J2.789.427E
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KCF data
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ATOM 15
1 C2x C 23.3843 -19.6031
2 C1y C 23.3843 -21.0033
3 C1y C 24.5968 -21.7034
4 C8y C 25.8096 -21.0033
5 C8y C 25.8096 -19.6031
6 C2x C 24.5968 -18.9031
7 C8x C 27.0221 -21.7034
8 C8x C 28.2348 -21.0033
9 C8x C 28.2348 -19.6031
10 C8y C 27.0221 -18.9031
11 N2b N 27.0221 -17.5029 #+
12 O3a O 28.2369 -16.8016 #-
13 O3a O 25.8142 -16.8055
14 O1a O 22.1707 -21.7039
15 O1a O 24.5967 -23.1024
BOND 16
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
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 2 14 1
16 3 15 1
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