| Entry |
|
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| Name |
1-Methylxanthine
|
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| Formula |
C6H6N4O2
|
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| Exact mass |
166.0491
|
|---|
| Mol weight |
166.1374
|
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| Structure |
     |
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| Reaction |
|
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| Pathway |
| Caffeine metabolism | | Metabolic pathways | | Biosynthesis of secondary metabolites | | Microbial metabolism in diverse environments |
|
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| Enzyme |
|
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| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Others
Purine alkaloids
C16358 1-Methylxanthine
 |
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| Other DBs |
CAS: 6136-37-4 PubChem: ChEBI: NIKKAJI: |
|---|
| KCF data |
ATOM 12
1 C8y C 28.5248 -24.0682
2 C8y C 28.5248 -25.4918
3 C8y C 29.7267 -23.3623
4 N4x N 27.2237 -23.6364
5 N4x N 29.7267 -26.1744
6 N5x N 27.2237 -25.9236
7 N4y N 30.9461 -24.0974
8 O5x O 29.7267 -21.9853
9 C8x C 26.4069 -24.7917
10 C8y C 30.9461 -25.4394
11 C1a C 32.1946 -23.4206
12 O5x O 32.1946 -26.1394
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 2
8 4 9 1
9 5 10 1
10 7 11 1
11 10 12 2
12 6 9 2
13 7 10 1
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