COMPOUND: C14787
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Entry
C14787 Compound
Name
(1S,2R)-Naphthalene 1,2-oxide;
(1S,2R)-Naphthalene epoxide
Formula
C10H8O
Exact mass
144.0575
Mol weight
144.17
Structure
Mol file
KCF file
DB search
Reaction
R07001
R07003
R07004
R07010
R07012
R07014
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Enzyme
1.14.14.1
1.14.14.-
2.5.1.18
3.3.2.9
Other DBs
PubChem:
17395785
ChEBI:
34001
NIKKAJI:
J88.300J
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KCF data
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ATOM 11
1 C8x C 15.1200 -18.2000
2 C8x C 15.1200 -19.6000
3 C8x C 16.3324 -20.3000
4 C8y C 17.5449 -19.6000
5 C8y C 17.5449 -18.2000
6 C8x C 16.3324 -17.5000
7 C2x C 18.7573 -20.3000
8 C2x C 19.9697 -19.6000
9 C1y C 19.9697 -18.2000
10 C1y C 18.7573 -17.5000
11 O2x O 19.9500 -16.8000
BOND 13
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1 #Down
13 9 11 1 #Down
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