7-methylxanthine
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CHEBI:48991
Tanimoto Score: 1.0
Formula: C6H6N4O2
Mass: 166.13760
Charge: 0
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9-Methylxanthine
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CHEBI:137296
Tanimoto Score: 1.0
Formula: C6H6N4O2
Mass: 166.138
Charge: 0
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caffeine
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CHEBI:27732
Tanimoto Score: 0.99
Formula: C8H10N4O2
Mass: 194.19076
Charge: 0
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theobromine
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CHEBI:28946
Tanimoto Score: 0.99
Formula: C7H8N4O2
Mass: 180.16418
Charge: 0
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Theobromine-d6
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CHEBI:182023
Tanimoto Score: 0.99
Formula: C7H2D6N4O2
Mass: 186.204
Charge: 0
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caffeine monohydrate
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CHEBI:31332
Tanimoto Score: 0.97
Formula: C8H10N4O2.H2O
Mass: 212.20604
Charge: 0
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8-methylcaffeine
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CHEBI:190027
Tanimoto Score: 0.97
Formula: C9H12N4O2
Mass: 208.221
Charge: 0
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Caffeinol
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CHEBI:231213
Tanimoto Score: 0.96
Formula: C8H10N4O3
Mass: 210.193
Charge: 0
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7H-xanthine
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CHEBI:48517
Tanimoto Score: 0.91
Formula: C5H4N4O2
Mass: 152.11102
Charge: 0
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9H-xanthine
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CHEBI:17712
Tanimoto Score: 0.91
Formula: C5H4N4O2
Mass: 152.11102
Charge: 0
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dimethazan
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CHEBI:135024
Tanimoto Score: 0.91
Formula: C11H17N5O2
Mass: 251.285
Charge: 0
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