| Entry |
|
|---|
| Name |
1-Nitronaphthalene-5,6-oxide
|
|---|
| Formula |
C10H7NO3
|
|---|
| Exact mass |
189.0426
|
|---|
| Mol weight |
189.17
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00980 | Metabolism of xenobiotics by cytochrome P450 |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 14
1 C2x C 22.8217 -19.9509
2 C1y C 22.8217 -21.3509
3 C1y C 24.0341 -22.0509
4 C8y C 25.2467 -21.3509
5 C8y C 25.2467 -19.9509
6 C2x C 24.0341 -19.2509
7 C8x C 26.4591 -22.0509
8 C8x C 27.6716 -21.3509
9 C8x C 27.6716 -19.9509
10 C8y C 26.4591 -19.2509
11 N2b N 26.4591 -17.8508 #+
12 O3a O 27.6737 -17.1496 #-
13 O3a O 25.2513 -17.1535
14 O2x O 22.8237 -22.7537
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 14 1
|
|---|
