| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C6H6N4O2
|
|---|
| Exact mass |
166.0491
|
|---|
| Mol weight |
166.14
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Others
Purine alkaloids
C16357 3-Methylxanthine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 12
1 C8y C 28.4900 -25.4800
2 C8y C 28.4900 -24.0800
3 N4y N 29.7500 -26.1800
4 N5x N 27.2300 -25.9700
5 C8y C 29.7500 -23.3800
6 N4x N 27.2300 -23.6600
7 C8y C 30.9400 -25.4800
8 C1a C 29.7500 -27.6500
9 C8x C 26.3900 -24.7800
10 N4x N 30.9400 -24.0800
11 O5x O 29.7500 -21.9800
12 O5x O 32.2000 -26.1800
BOND 13
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 2
11 7 12 2
12 6 9 1
13 7 10 1
|
|---|
