has part has_part has part caffeine caffeine monohydrate 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate 212.091 212.20604 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrate Beilstein:4033904 C8H10N4O2.H2O C8H12N4O3 CAS:5743-12-4 CHEBI:31332 DrugBank:DB00201 InChI=1S/C8H10N4O2.H2O/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H2 KEGG:D01453 LCHGOKZNRDAXEK-UHFFFAOYSA-N O.Cn1cnc2n(C)c(=O)n(C)c(=O)c12 chebi_ontology hydrate