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InChIKey | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
InChI | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) |
SMILES | Cn1cnc2n(C)c(=O)[nH]c(=O)c12 |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 13 |
Distinct compatimentalized reactions in models | 1 |
Identifier | Description |
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keggC:C07480 sabiorkM:9585 | Theobromine 3,7-Dimethylxanthine |
envipath:...4c5240b3b5c4 | Theobromine |
seedM:cpd04653 | Theobromine 3,7-Dimethylxanthine 3,7-dimethylxanthine theobromine |
metacycM:3-7-DIMETHYLXANTHINE | theobromine 3,7-dimethylxanthine |
chebi:28946 | theobromine 3,7-Dimethylxanthine 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione 3,7-dimethylpurine-2,6-dione 3,7-dimethylxanthine THEOBROMINE Theobromin Theobromine |
hmdb:HMDB0002825 | Theobromine 2,6-Dihydroxy-3,7-dimethyl-purine 3,7-Dimethyl-xanthine 3,7-Dimethylpurine-2,6-dione 3,7-Dimethylxanthine 3,7-dihydro-3,7-Dimethyl-1H-purine-2,6-dione 3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione Diurobromine Teobromin Theobromin theobromine |
chebi:26939 chebi:39914 chebi:9521 hmdb:HMDB02825 keggC:M_C07480 seedM:M_cpd04653 | secondary/obsolete/fantasy identifier |