Compounds
COMPOUND NPA007904
PROPERTIES
| NPAID | NPA007904 |
|---|---|
| CLUSTER ID | 3472 |
| NODE ID | 2623 |
| NAME | Caffeine |
| FORMULA | C8H10N4O2 |
| MOLECULAR WEIGHT (Da) | 194.1940 |
| ACCURATE MASS (Da) | 194.0804 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Claviceps |
| ORIGIN SPECIES | sorghicola |
| InChIKey | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bogo, Amauri; Mantle, Peter G. Caffeine: Also a fungal metabolite Phytochemistry 2000 54 (8) 937-939. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(00)00169-2 | PMID | - |
