Statements (9)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
InChIKey
|
| gptkbp:CASNumber |
58-08-2
|
| gptkbp:hasMolecularFormula |
C8H10N4O2
|
| gptkbp:hasSMILES |
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
|
| https://www.w3.org/2000/01/rdf-schema#label |
QXWZKJOVKZJQKJ-UHFFFAOYSA-N
|
| gptkbp:isInChIKeyFor |
Caffeine
|
| gptkbp:IUPACName |
1,3,7-Trimethylpurine-2,6-dione
|
| gptkbp:bfsParent |
gptkb:CHEBI:66953
|
| gptkbp:bfsLayer |
7
|