{ "meta": { "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.", "terms": "https://open.fda.gov/terms/", "license": "https://open.fda.gov/license/", "last_updated": "2025-09-19", "results": { "skip": 0, "limit": 1, "total": 1 } }, "results": [ { "codes": [ { "uuid": "a5684a14-a17d-d270-1974-97e5648da7c4", "code": "DTXSID10868673", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID10868673", "code_system": "EPA CompTox", "references": [ "afad9a4a-eadd-f20a-65f5-36f830492e74" ] }, { "uuid": "dbb05f44-e902-41db-8ac9-094eb071456c", "code": "3Z78YN7FL9", "type": "PRIMARY", "code_system": "FDA UNII", "references": [ "5620fdf9-625c-4dc0-93b0-3dc3c927f0a9" ] }, { "uuid": "7338d4c3-e2f5-5443-dfc7-7f6ebf6e3bc8", "code": "6441136", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/6441136", "code_system": "PUBCHEM", "references": [ "4d738403-4aaf-09f8-ca88-4ad2efeaa918" ] }, { "uuid": "e95dea3c-d8cb-4796-9a46-c5eec068d8a4", "code": "82784-84-7", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=82784-84-7", "code_system": "CAS", "references": [ "a456f87b-96e5-41e6-93a1-cac27599c355", "5620fdf9-625c-4dc0-93b0-3dc3c927f0a9" ] } ], "substance_class": "chemical", "names": [ { "uuid": "45d416bd-fb7b-4cf3-95f9-f0c2cc4328b0", "name": "2,5,6-TRIMETHYLHEPT-4-ENAL", "stdName": "2,5,6-TRIMETHYLHEPT-4-ENAL", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "a456f87b-96e5-41e6-93a1-cac27599c355" ], "display_name": true }, { "uuid": "51695598-1171-4cff-89d1-e6235d2420bf", "name": "2,5,6-Trimethyl-4-heptenal", "stdName": "2,5,6-TRIMETHYL-4-HEPTENAL", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "5620fdf9-625c-4dc0-93b0-3dc3c927f0a9" ], "display_name": false }, { "uuid": "221120dd-2ae8-41c7-bc39-d8bb42ab35e6", "name": "4-Heptenal, 2,5,6-trimethyl-", "stdName": "4-HEPTENAL, 2,5,6-TRIMETHYL-", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "5620fdf9-625c-4dc0-93b0-3dc3c927f0a9" ], "display_name": false } ], "references": [ { "uuid": "4d738403-4aaf-09f8-ca88-4ad2efeaa918", "citation": "PUBCHEM", "doc_type": "PUBCHEM", "public_domain": true }, { "uuid": "5620fdf9-625c-4dc0-93b0-3dc3c927f0a9", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true, "tags": [ "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "a456f87b-96e5-41e6-93a1-cac27599c355", "citation": "CHEMID", "doc_type": "CHEMID", "public_domain": true, "tags": [ "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "afad9a4a-eadd-f20a-65f5-36f830492e74", "citation": "EPA CompTox", "doc_type": "EPA", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "8f174c6c-c006-4e3c-8911-226689974b78", "id": "8f174c6c-c006-4e3c-8911-226689974b78", "molfile": "\n Marvin 04032314512D \n\n 11 10 0 0 0 0 999 V2000\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4290 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4290 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2869 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0014 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 3 0 0 0\n 2 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 5 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 7 11 2 0 0 0 0\nM END", "smiles": "CC(C)C(=CCC(C)C=O)C", "formula": "C10H18O", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "RACEMIC", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "77ffaf22-d7c3-4ca9-b4af-206587f4b1ee" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "154.2497", "optical_activity": "( + / - )", "stereo_centers": 1 } ], "definition_level": "COMPLETE", "uuid": "3f66661e-dbfa-487c-b989-10ecb19cd406", "version": "9", "structure": { "id": "0e7b8a16-fb8e-419d-b048-f75b5f2146d8", "molfile": "2,5,6-Trimethyl-4-heptenal\n JSDraw204032314512D\n\n 11 10 0 0 0 0 0 V2000\n 23.8685 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2195 -8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5176 -8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.5704 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1665 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5176 -9.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.9215 -8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.5704 -5.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.8155 -8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1665 -5.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.2725 -7.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 3 0 0 0\n 2 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 5 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 7 11 2 0 0 0 0\nM END", "smiles": "CC(C)C(=CCC(C)C=O)C", "formula": "C10H18O", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "RACEMIC", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "154.2497", "optical_activity": "( + / - )", "references": [ "a456f87b-96e5-41e6-93a1-cac27599c355", "5620fdf9-625c-4dc0-93b0-3dc3c927f0a9" ], "stereo_centers": 1 }, "unii": "3Z78YN7FL9" } ] }