Chemical Entities of Biological Interest (ChEBI)

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100 entries found, displaying 1 to 15.

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sodium caffeine benzoate
	CHEBI:32140 Stars: Tanimoto Score: 1.0 Formula: C8H10N4O2.C7H5O2.Na Mass: 338.299 Charge: 0

Theophylline sodium acetate
	CHEBI:32214 Stars: Tanimoto Score: 0.88 Formula: C9H11N4NaO4 Mass: 262.198 Charge: 0

2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid
	CHEBI:94615 Stars: Tanimoto Score: 0.88 Formula: C9H10N4O4 Mass: 238.200 Charge: 0

caffeine monohydrate
	CHEBI:31332 Stars: Tanimoto Score: 0.86 Formula: C8H10N4O2.H2O Mass: 212.20604 Charge: 0

caffeine-(trimethyl-¹³C₃)
	CHEBI:178066 Stars: Tanimoto Score: 0.85 Formula: C5[13C]3H10N4O2 Mass: 197.171 Charge: 0

1,7-dimethylxanthine
	CHEBI:25858 Stars: Tanimoto Score: 0.85 Formula: C7H8N4O2 Mass: 180.16400 Charge: 0

caffeine
	CHEBI:27732 Stars: Tanimoto Score: 0.85 Formula: C8H10N4O2 Mass: 194.19076 Charge: 0

theobromine
	CHEBI:28946 Stars: Tanimoto Score: 0.85 Formula: C7H8N4O2 Mass: 180.16418 Charge: 0

Theobromine-d6
	CHEBI:182023 Stars: Tanimoto Score: 0.85 Formula: C7H2D6N4O2 Mass: 186.204 Charge: 0

Caffeinol
	CHEBI:231213 Stars: Tanimoto Score: 0.85 Formula: C8H10N4O3 Mass: 210.193 Charge: 0

7-methylxanthine
	CHEBI:48991 Stars: Tanimoto Score: 0.84 Formula: C6H6N4O2 Mass: 166.13760 Charge: 0

7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
	CHEBI:94764 Stars: Tanimoto Score: 0.84 Formula: C9H12N4O3 Mass: 224.217 Charge: 0

4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid
	CHEBI:109304 Stars: Tanimoto Score: 0.84 Formula: C15H15N5O4 Mass: 329.311 Charge: 0

1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dione
	CHEBI:121806 Stars: Tanimoto Score: 0.84 Formula: C15H16N4O2 Mass: 284.314 Charge: 0

9-Methylxanthine
	CHEBI:137296 Stars: Tanimoto Score: 0.84 Formula: C6H6N4O2 Mass: 166.138 Charge: 0

100 entries found, displaying 1 to 15.

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Search Results for All in ChEBI

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