[
    {
        "@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://purl.org/dc/terms/conformsTo": [
                    {
                        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE"
                    }
                ],
                "http://schema.org/alternateName": [
                    {
                        "@value": "(13)C3-caffeine"
                    },
                    {
                        "@value": "1,3,7-tri((13)C)methylxanthine"
                    },
                    {
                        "@value": "1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione"
                    },
                    {
                        "@value": "1,3,7-trimethyl-2,6-dioxopurine"
                    },
                    {
                        "@value": "1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione"
                    },
                    {
                        "@value": "1,3,7-trimethylpurine-2,6-dione"
                    },
                    {
                        "@value": "1,3,7-Trimethylxanthine"
                    },
                    {
                        "@value": "1,3,7-tris(trideuteriomethyl)purine-2,6-dione"
                    },
                    {
                        "@value": "1,3,7-tris[((13)C)methyl]-3,7-dihydro-1H-purine-2,6-dione"
                    },
                    {
                        "@value": "1,3,7-tris[((2)H3)methyl]-3,7-dihydro-1H-purine-2,6-dione"
                    },
                    {
                        "@value": "1-Methyl-theobromine"
                    },
                    {
                        "@value": "1-methyltheobromine"
                    },
                    {
                        "@value": "3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion"
                    },
                    {
                        "@value": "3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione"
                    },
                    {
                        "@value": "3,7-dimethyl-1-(trideuteriomethyl)purine-2,6-dione"
                    },
                    {
                        "@value": "3,7-tri((13)C)methyl-1H-purine-2,6(3H,7H)-dione"
                    },
                    {
                        "@value": "7-Methyl theophylline"
                    },
                    {
                        "@value": "7-methyltheophylline"
                    },
                    {
                        "@value": "anhydrous caffeine"
                    },
                    {
                        "@value": "Anhydrous caffeine (JP15)"
                    },
                    {
                        "@value": "Anhydrous caffeine (JP18)"
                    },
                    {
                        "@value": "Anhydrous caffeine (TN)"
                    },
                    {
                        "@value": "Berlin-chemie brand OF caffeine"
                    },
                    {
                        "@value": "Bristol-myers squibb brand OF caffeine"
                    },
                    {
                        "@value": "cafeina"
                    },
                    {
                        "@value": "cafeine"
                    },
                    {
                        "@value": "Caffedrine"
                    },
                    {
                        "@value": "caffeine (trimethyl-(13)C3)"
                    },
                    {
                        "@value": "Caffeine (USP)"
                    },
                    {
                        "@value": "caffeine-(13)C3"
                    },
                    {
                        "@value": "caffeine-(trimethyl-(13)C3)"
                    },
                    {
                        "@value": "caffeine-(trimethyl-d9)"
                    },
                    {
                        "@value": "Caffeine-D3"
                    },
                    {
                        "@value": "caffeine-d9"
                    },
                    {
                        "@value": "caffeine-trimethyl-(13)C3"
                    },
                    {
                        "@value": "caffeine-[d9]"
                    },
                    {
                        "@value": "Coffein"
                    },
                    {
                        "@value": "Coffeinum N"
                    },
                    {
                        "@value": "Coffeinum purrum"
                    },
                    {
                        "@value": "compound 0062097"
                    },
                    {
                        "@value": "d9-caffeine"
                    },
                    {
                        "@value": "Dexitac"
                    },
                    {
                        "@value": "Durvitan"
                    },
                    {
                        "@value": "GlaxoSmithKline brand OF caffeine"
                    },
                    {
                        "@value": "guaranine"
                    },
                    {
                        "@value": "Hycomine"
                    },
                    {
                        "@value": "Koffein"
                    },
                    {
                        "@value": "Lanorinal"
                    },
                    {
                        "@value": "mateina"
                    },
                    {
                        "@value": "Merck dura brand OF caffeine"
                    },
                    {
                        "@value": "Methyltheobromide"
                    },
                    {
                        "@value": "methyltheobromine"
                    },
                    {
                        "@value": "methyltheobromine-(13)C3"
                    },
                    {
                        "@value": "Methylxanthine theophylline"
                    },
                    {
                        "@value": "Monohydrate caffeine"
                    },
                    {
                        "@value": "No doz"
                    },
                    {
                        "@value": "Passauer brand OF caffeine"
                    },
                    {
                        "@value": "Percoffedrinol N"
                    },
                    {
                        "@value": "Percutafeine"
                    },
                    {
                        "@value": "Pierre fabre brand OF caffeine"
                    },
                    {
                        "@value": "Propoxyphene"
                    },
                    {
                        "@value": "Quick pep"
                    },
                    {
                        "@value": "Quick-pep"
                    },
                    {
                        "@value": "QuickPep"
                    },
                    {
                        "@value": "Republic drug brand OF caffeine"
                    },
                    {
                        "@value": "Respia"
                    },
                    {
                        "@value": "Respia (TN)"
                    },
                    {
                        "@value": "Seid brand OF caffeine"
                    },
                    {
                        "@value": "teina"
                    },
                    {
                        "@value": "Thein"
                    },
                    {
                        "@value": "theine"
                    },
                    {
                        "@value": "Thompson brand 1 OF caffeine"
                    },
                    {
                        "@value": "Thompson brand 2 OF caffeine"
                    },
                    {
                        "@value": "Vivarin"
                    }
                ],
                "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:177330"
                    },
                    {
                        "@id": "https://identifiers.org/CHEBI:178066"
                    },
                    {
                        "@id": "https://identifiers.org/CHEBI:231574"
                    },
                    {
                        "@id": "https://identifiers.org/CHEBI:27732"
                    },
                    {
                        "@id": "https://identifiers.org/envipath:32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/ddb1db3d-0021-4e9e-8cc3-7bc90b829e1c"
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                    {
                        "@id": "https://identifiers.org/envipath:650babc9-9d68-4b73-9332-11972ca26f7b/compound/f2c33276-3eea-4744-b9e1-d4bfae51c148"
                    },
                    {
                        "@id": "https://identifiers.org/hmdb:HMDB0001847"
                    },
                    {
                        "@id": "https://identifiers.org/kegg.compound:C07481"
                    },
                    {
                        "@id": "https://identifiers.org/kegg.drug:D00528"
                    },
                    {
                        "@id": "https://identifiers.org/metacyc.compound:1-3-7-TRIMETHYLXANTHINE"
                    },
                    {
                        "@id": "https://identifiers.org/reactome:R-ALL-3296390"
                    },
                    {
                        "@id": "https://identifiers.org/reactome:R-ALL-40727"
                    },
                    {
                        "@id": "https://identifiers.org/sabiork.compound:9586"
                    },
                    {
                        "@id": "https://identifiers.org/seed.compound:cpd04654"
                    },
                    {
                        "@id": "https://identifiers.org/vmhmetabolite:cfn"
                    }
                ],
                "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-jsonld"
    }
]