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Chemistry, part 1

Content language

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Concept information

Preferred term

caffeine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

alt_id

  • CHEBI:22982
  • CHEBI:3295
  • CHEBI:41472

charge

  • 0

formula

  • C8H10N4O2

has_role

inchi

  • InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3

inchikey

  • RYYVLZVUVIJVGH-UHFFFAOYSA-N

mass

  • 194.19076

monoisotopicmass

  • 194.08038

smiles

  • Cn1cnc2n(C)c(=O)n(C)c(=O)c12

subset

  • 3_STAR

synonym EXACT

  • 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
  • caffeine
  • CAFFEINE
  • Caffeine

synonym RELATED

  • 1,3,7-trimethyl-2,6-dioxopurine
  • 1,3,7-trimethylpurine-2,6-dione
  • 1,3,7-Trimethylxanthine
  • 1,3,7-trimethylxanthine
  • 1-methyltheobromine
  • 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
  • 7-methyltheophylline
  • anhydrous caffeine
  • cafeina
  • cafeine
  • Coffein
  • guaranine
  • Koffein
  • mateina
  • methyltheobromine
  • teina
  • Thein
  • theine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:27732

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