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123 entries found, displaying 1 to 15.
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7-methylxanthine
CHEBI:48991 CHEBI:48991 CHEBI:48991
Stars:
Tanimoto Score: 1.0
Formula: C6H6N4O2
Mass: 166.13760
Charge: 0
9-Methylxanthine
CHEBI:137296 CHEBI:137296 CHEBI:137296
Stars:
Tanimoto Score: 1.0
Formula: C6H6N4O2
Mass: 166.138
Charge: 0
caffeine-(trimethyl-13C3)
CHEBI:178066 CHEBI:178066 CHEBI:178066
Stars:
Tanimoto Score: 0.99
Formula: C5[13C]3H10N4O2
Mass: 197.171
Charge: 0
1,7-dimethylxanthine
CHEBI:25858 CHEBI:25858 CHEBI:25858
Stars:
Tanimoto Score: 0.99
Formula: C7H8N4O2
Mass: 180.16400
Charge: 0
caffeine
CHEBI:27732 CHEBI:27732 CHEBI:27732
Stars:
Tanimoto Score: 0.99
Formula: C8H10N4O2
Mass: 194.19076
Charge: 0
theobromine
CHEBI:28946 CHEBI:28946 CHEBI:28946
Stars:
Tanimoto Score: 0.99
Formula: C7H8N4O2
Mass: 180.16418
Charge: 0
Theobromine-d6
CHEBI:182023 CHEBI:182023 CHEBI:182023
Stars:
Tanimoto Score: 0.99
Formula: C7H2D6N4O2
Mass: 186.204
Charge: 0
caffeine monohydrate
CHEBI:31332 CHEBI:31332 CHEBI:31332
Stars:
Tanimoto Score: 0.97
Formula: C8H10N4O2.H2O
Mass: 212.20604
Charge: 0
8-methylcaffeine
CHEBI:190027 CHEBI:190027 CHEBI:190027
Stars:
Tanimoto Score: 0.97
Formula: C9H12N4O2
Mass: 208.221
Charge: 0
Caffeinol
CHEBI:231213 CHEBI:231213 CHEBI:231213
Stars:
Tanimoto Score: 0.96
Formula: C8H10N4O3
Mass: 210.193
Charge: 0
7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
CHEBI:94764 CHEBI:94764 CHEBI:94764
Stars:
Tanimoto Score: 0.92
Formula: C9H12N4O3
Mass: 224.217
Charge: 0
1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dione
CHEBI:121806 CHEBI:121806 CHEBI:121806
Stars:
Tanimoto Score: 0.92
Formula: C15H16N4O2
Mass: 284.314
Charge: 0
7H-xanthine
CHEBI:48517 CHEBI:48517 CHEBI:48517
Stars:
Tanimoto Score: 0.91
Formula: C5H4N4O2
Mass: 152.11102
Charge: 0
9H-xanthine
CHEBI:17712 CHEBI:17712 CHEBI:17712
Stars:
Tanimoto Score: 0.91
Formula: C5H4N4O2
Mass: 152.11102
Charge: 0
dimethazan
CHEBI:135024 CHEBI:135024 CHEBI:135024
Stars:
Tanimoto Score: 0.91
Formula: C11H17N5O2
Mass: 251.285
Charge: 0
123 entries found, displaying 1 to 15.
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