[{"@graph": [{"@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE", "@type": ["http://schema.org/CreativeWork"]}, {"@id": "https://www.metanetx.org/chem_info/MNXM680", "@type": ["http://schema.org/MolecularEntity"], "http://ogp.me/ns#description": [{"@value": "MetaNetX MNXM680 details"}], "http://ogp.me/ns#image": [{"@value": "https://www.metanetx.org/cgi-bin/mnxget/chem_img/MNXM680.svg"}], "http://ogp.me/ns#logo": [{"@value": "https://www.metanetx.org/images/mnx_logo.png"}], "http://ogp.me/ns#site_name": [{"@value": "MetaNetX"}], "http://ogp.me/ns#title": [{"@value": "MetaNetX: MNXM680 - caffeine"}], "http://ogp.me/ns#type": [{"@value": "website"}], "http://ogp.me/ns#url": [{"@value": "https://www.metanetx.org/chem_info/MNXM680"}], "http://purl.org/dc/terms/conformsTo": [{"@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE"}], "http://schema.org/alternateName": [{"@value": "guaranine"}, {"@value": "Thein"}, {"@value": "Lanorinal"}, {"@value": "1,3,7-tris(trideuteriomethyl)purine-2,6-dione"}, {"@value": "Durvitan"}, {"@value": "Koffein"}, {"@value": "Bristol-myers squibb brand OF caffeine"}, {"@value": "Coffeinum purrum"}, {"@value": "3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione"}, {"@value": "cafeine"}, {"@value": "Vivarin"}, {"@value": "caffeine-trimethyl-(13)C3"}, {"@value": "Percoffedrinol N"}, {"@value": "caffeine-(trimethyl-d9)"}, {"@value": "Pierre fabre brand OF caffeine"}, {"@value": "caffeine (trimethyl-(13)C3)"}, {"@value": "Respia"}, {"@value": "Anhydrous caffeine (JP15)"}, {"@value": "caffeine-(13)C3"}, {"@value": "1-Methyl-theobromine"}, {"@value": "caffeine-[d9]"}, {"@value": "Methyltheobromide"}, {"@value": "1,3,7-tris[((13)C)methyl]-3,7-dihydro-1H-purine-2,6-dione"}, {"@value": "compound 0062097"}, {"@value": "7-Methyl theophylline"}, {"@value": "Monohydrate caffeine"}, {"@value": "7-methyltheophylline"}, {"@value": "Quick-pep"}, {"@value": "Berlin-chemie brand OF caffeine"}, {"@value": "Hycomine"}, {"@value": "Quick pep"}, {"@value": "1-methyltheobromine"}, {"@value": "Percutafeine"}, {"@value": "Caffeine (USP)"}, {"@value": "Merck dura brand OF caffeine"}, {"@value": "teina"}, {"@value": "1,3,7-trimethyl-2,6-dioxopurine"}, {"@value": "Anhydrous caffeine (TN)"}, {"@value": "No doz"}, {"@value": "Propoxyphene"}, {"@value": "1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione"}, {"@value": "Thompson brand 1 OF caffeine"}, {"@value": "3,7-dimethyl-1-(trideuteriomethyl)purine-2,6-dione"}, {"@value": "(13)C3-caffeine"}, {"@value": "Passauer brand OF caffeine"}, {"@value": "1,3,7-tri((13)C)methylxanthine"}, {"@value": "methyltheobromine"}, {"@value": "Dexitac"}, {"@value": "methyltheobromine-(13)C3"}, {"@value": "Republic drug brand OF caffeine"}, {"@value": "1,3,7-Trimethylxanthine"}, {"@value": "Caffeine-D3"}, {"@value": "caffeine-d9"}, {"@value": "anhydrous caffeine"}, {"@value": "Anhydrous caffeine (JP18)"}, {"@value": "Caffedrine"}, {"@value": "QuickPep"}, {"@value": "Thompson brand 2 OF caffeine"}, {"@value": "cafeina"}, {"@value": "Coffeinum N"}, {"@value": "Respia (TN)"}, {"@value": "GlaxoSmithKline brand OF caffeine"}, {"@value": "1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione"}, {"@value": "mateina"}, {"@value": "d9-caffeine"}, {"@value": "1,3,7-tris[((2)H3)methyl]-3,7-dihydro-1H-purine-2,6-dione"}, {"@value": "theine"}, {"@value": "Methylxanthine theophylline"}, {"@value": "Coffein"}, {"@value": "Seid brand OF caffeine"}, {"@value": "3,7-tri((13)C)methyl-1H-purine-2,6(3H,7H)-dione"}, {"@value": "caffeine-(trimethyl-(13)C3)"}, {"@value": "1,3,7-trimethylpurine-2,6-dione"}, {"@value": "3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion"}], "http://schema.org/identifier": [{"@value": "metanetx.chemical:MNXM680"}], "http://schema.org/inChI": [{"@value": "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3"}], "http://schema.org/inChIKey": [{"@value": "RYYVLZVUVIJVGH-UHFFFAOYSA-N"}], "http://schema.org/molecularFormula": [{"@value": "C8H10N4O2"}], "http://schema.org/molecularWeight": [{"@type": "http://www.w3.org/2001/XMLSchema#double", "@value": 194.194}], "http://schema.org/name": [{"@value": "caffeine"}], "http://schema.org/sameAs": [{"@id": "https://identifiers.org/CHEBI:178066"}, {"@id": "https://identifiers.org/kegg.drug:D00528"}, {"@id": "https://identifiers.org/envipath:650babc9-9d68-4b73-9332-11972ca26f7b/compound/f2c33276-3eea-4744-b9e1-d4bfae51c148"}, {"@id": "https://identifiers.org/reactome:R-ALL-3296390"}, {"@id": "https://identifiers.org/CHEBI:177330"}, {"@id": "https://identifiers.org/metacyc.compound:1-3-7-TRIMETHYLXANTHINE"}, {"@id": "https://identifiers.org/envipath:32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/ddb1db3d-0021-4e9e-8cc3-7bc90b829e1c"}, {"@id": "https://identifiers.org/sabiork.compound:9586"}, {"@id": "https://identifiers.org/CHEBI:27732"}, {"@id": "https://identifiers.org/kegg.compound:C07481"}, {"@id": "https://identifiers.org/reactome:R-ALL-40727"}, {"@id": "https://identifiers.org/CHEBI:231574"}, {"@id": "https://identifiers.org/vmhmetabolite:cfn"}, {"@id": "https://identifiers.org/seed.compound:cpd04654"}, {"@id": "https://identifiers.org/hmdb:HMDB0001847"}], "http://schema.org/smiles": [{"@value": "CN1C=NC2=C1C(=O)N(C)C(=O)N2C"}], "http://schema.org/url": [{"@id": "https://www.metanetx.org/chem_info/MNXM680"}]}], "@id": "https://www.metanetx.org/chem_info/MNXM680#html"}]
