Chemical Entities of Biological Interest (ChEBI)

Do data resources managed by EMBL-EBI and our collaborators make a difference to your work?
Please take 10 minutes to fill in our annual user survey, and help us make the case for why sustaining open data resources is critical for life sciences research.

Take survey

ChEBI > Search Results

Search Results for All in ChEBI

similar structures

Download your results

78 entries found, displaying 1 to 15.

1 2 3 4 ...

8-(3-chlorostyryl)caffeine
	CHEBI:53115 Stars: Tanimoto Score: 1.0 Formula: C16H15ClN4O2 Mass: 330.76900 Charge: 0

1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dione
	CHEBI:121806 Stars: Tanimoto Score: 0.83 Formula: C15H16N4O2 Mass: 284.314 Charge: 0

8-methylcaffeine
	CHEBI:190027 Stars: Tanimoto Score: 0.82 Formula: C9H12N4O2 Mass: 208.221 Charge: 0

caffeine-(trimethyl-¹³C₃)
	CHEBI:178066 Stars: Tanimoto Score: 0.81 Formula: C5[13C]3H10N4O2 Mass: 197.171 Charge: 0

1,7-dimethylxanthine
	CHEBI:25858 Stars: Tanimoto Score: 0.81 Formula: C7H8N4O2 Mass: 180.16400 Charge: 0

caffeine
	CHEBI:27732 Stars: Tanimoto Score: 0.81 Formula: C8H10N4O2 Mass: 194.19076 Charge: 0

theobromine
	CHEBI:28946 Stars: Tanimoto Score: 0.81 Formula: C7H8N4O2 Mass: 180.16418 Charge: 0

7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
	CHEBI:107641 Stars: Tanimoto Score: 0.81 Formula: C9H11ClN4O2 Mass: 242.663 Charge: 0

Theobromine-d6
	CHEBI:182023 Stars: Tanimoto Score: 0.81 Formula: C7H2D6N4O2 Mass: 186.204 Charge: 0

caffeine monohydrate
	CHEBI:31332 Stars: Tanimoto Score: 0.8 Formula: C8H10N4O2.H2O Mass: 212.20604 Charge: 0

7-methylxanthine
	CHEBI:48991 Stars: Tanimoto Score: 0.8 Formula: C6H6N4O2 Mass: 166.13760 Charge: 0

9-Methylxanthine
	CHEBI:137296 Stars: Tanimoto Score: 0.8 Formula: C6H6N4O2 Mass: 166.138 Charge: 0

istradefylline
	CHEBI:134726 Stars: Tanimoto Score: 0.79 Formula: C20H24N4O4 Mass: 384.430 Charge: 0

Caffeinol
	CHEBI:231213 Stars: Tanimoto Score: 0.79 Formula: C8H10N4O3 Mass: 210.193 Charge: 0

7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
	CHEBI:94764 Stars: Tanimoto Score: 0.78 Formula: C9H12N4O3 Mass: 224.217 Charge: 0

78 entries found, displaying 1 to 15.

1 2 3 4 ...

Search Results for All in ChEBI

ChEBI is part of the ELIXIR infrastructure