COMPOUND: C04731
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Entry
C04731 Compound
Name
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide
Formula
C12H15NO
Exact mass
189.1154
Mol weight
189.2536
Structure
Mol file
KCF file
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Reaction
R04523
Enzyme
1.14.13.8
Other DBs
PubChem:
7302
ChEBI:
17472
NIKKAJI:
J418.298G
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KCF data
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ATOM 14
1 C2y C 25.0153 -16.3323
2 C8y C 23.6619 -16.3447
3 C1x C 25.7241 -17.5079
4 C2x C 25.6915 -15.1440
5 C8x C 22.9658 -15.1752
6 C8x C 22.9981 -17.5905
7 C1x C 27.0963 -17.4890
8 C1x C 27.0637 -15.1251
9 C8x C 21.6121 -15.1814
10 C8x C 21.6447 -17.5454
11 N2y N 27.7599 -16.2945
12 C8x C 20.9486 -16.3759
13 O3a O 28.8898 -15.3045
14 C1a C 28.8898 -17.4244
BOND 15
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 2
9 6 10 1
10 7 11 1
11 9 12 1
12 8 11 1
13 10 12 2
14 11 13 2
15 11 14 1
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