Statements (20)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:CASNumber |
58-08-2
|
| gptkbp:hasInChIKey |
gptkb:QXQDBDUTYJJUKX-DCBBRINESA-N
|
| gptkbp:hasMolecularFormula |
C8H10N4O2
|
| gptkbp:hasSMILES |
Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
| gptkbp:hasUNII |
3G6A5W338E
|
| https://www.w3.org/2000/01/rdf-schema#label |
QXQDBDUTYJJUKX-DCBBRINESA-N
|
| gptkbp:isomerOf |
caffeine
|
| gptkbp:IUPACName |
1,3,7-Trimethylpurine-2,6-dione
|
| gptkbp:molecularWeight |
194.19 g/mol
|
| gptkbp:PubChem_CID |
2519
27732 2424 DB00201 |
| gptkbp:synonym |
gptkb:guaranine
gptkb:methyltheobromine gptkb:theine caffeine |
| gptkbp:bfsParent |
gptkb:icariin
|
| gptkbp:bfsLayer |
8
|