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theobromine (CHEBI:28946)
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| theobromine |
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| CHEBI:28946 |
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| 17 October 2009 |
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This entity has been manually annotated by the ChEBI Team.
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CHEBI:9521, CHEBI:26939, CHEBI:39914, CHEBI:255584
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InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/f/h9H
InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/f/h9H
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InChIKey=YAPQBXQYLJRXSA-BGGKNDAXCS
InChIKey=YAPQBXQYLJRXSA-BGGKNDAXCS
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Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Cn1cnc2n(C)c(=O)[nH]c(=O)c12
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3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
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NIST Chemistry WebBook
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3,7-dimethylpurine-2,6-dione
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DrugBank
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3,7-dimethylxanthine
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ChEBI
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Theobromin
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ChEBI
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THEOBROMINE
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MSDchem
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Theobromine
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KEGG COMPOUND
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théobromine
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ChEBI
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37T
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MSDchem
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C07480
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KEGG COMPOUND
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DB01412
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DrugBank
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255584
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ChEMBL
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143367
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Gmelin Registry Number
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Gmelin
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16464
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Beilstein Registry Number
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Beilstein
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83-67-0
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CAS Registry Number
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KEGG COMPOUND
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83-67-0
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CAS Registry Number
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ChemIDplus
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83-67-0
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CAS Registry Number
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NIST Chemistry WebBook
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2213834
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PubMed citation
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ChEMBL
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3965711
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PubMed citation
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ChEMBL
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8230124
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PubMed citation
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ChEMBL
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