| 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 |
|
|---|
| Module |
| M00915 | Caffeine degradation, caffeine => xanthine |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Others
Purine alkaloids
C16353 7-Methylxanthine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 12
1 C8y C 24.2200 -18.1300
2 N5x N 22.8200 -18.5500
3 C8y C 24.2200 -16.7300
4 N4x N 25.4100 -18.8300
5 C8x C 22.0500 -17.4300
6 N4y N 22.8200 -16.3100
7 C8y C 25.4100 -16.0300
8 C8y C 26.6000 -18.1300
9 N4x N 26.6000 -16.7300
10 O5x O 25.4100 -14.7700
11 O5x O 27.8600 -18.8300
12 C1a C 22.4000 -14.9100
BOND 13
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 3 7 1
7 4 8 1
8 7 9 1
9 7 10 2
10 8 11 2
11 5 6 1
12 8 9 1
13 6 12 1
|
|---|
