{ "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": "362bd5fd-ac7f-4a0a-9c5b-5bdb6ce92cfb", "code": "67801-30-3", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=67801-30-3", "code_system": "CAS", "references": [ "8bda501f-f670-4e6e-a59a-d7bb5c44eff2", "5882ab06-2c30-44e7-90d4-25597b190995" ] }, { "uuid": "5eda4a69-e2e4-4fac-8f62-a78127cd9648", "code": "267-150-9", "type": "PRIMARY", "url": "https://echa.europa.eu/substance-information/-/substanceinfo/100.061.028", "code_system": "ECHA (EC/EINECS)", "references": [ "8bda501f-f670-4e6e-a59a-d7bb5c44eff2" ] }, { "uuid": "7be301f1-86a7-454e-8cbf-432229b901d7", "code": "6437270", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/6437270", "code_system": "PUBCHEM", "references": [ "8bda501f-f670-4e6e-a59a-d7bb5c44eff2" ] }, { "uuid": "d6d95966-b835-ba50-c3bc-e9ca85db22c1", "code": "DTXSID20867339", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID20867339", "code_system": "EPA CompTox", "references": [ "17ccb113-8729-47e6-7f38-fb28cae7469a" ] }, { "uuid": "1ec39291-1f4c-4ba6-bb97-43051cc4e925", "code": "G541P2ICU5", "type": "PRIMARY", "code_system": "FDA UNII" } ], "substance_class": "chemical", "names": [ { "uuid": "f6fb1310-7fba-474b-9cf5-fa9f4f4c5d13", "name": "1-(2,4,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-1-PENTEN-3-ONE", "stdName": "1-(2,4,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-1-PENTEN-3-ONE", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "80355714-064a-4bf4-90d7-3d2edb6a0589" ], "display_name": true }, { "uuid": "4a9c652c-3ae5-4759-af41-11b0481a2ef5", "name": "1-PENTEN-3-ONE, 1-(2,4,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-", "stdName": "1-PENTEN-3-ONE, 1-(2,4,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "fe5b13d7-7781-4df2-962e-c1c146e8460e" ], "display_name": false } ], "references": [ { "uuid": "fe5b13d7-7781-4df2-962e-c1c146e8460e", "citation": "CFSAN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "80355714-064a-4bf4-90d7-3d2edb6a0589", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "8bda501f-f670-4e6e-a59a-d7bb5c44eff2", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493393585000, "tags": [ "NOMEN" ] }, { "uuid": "514f6d2e-5629-476b-92a7-d5e73bbc4a04", "citation": "SRS import [G541P2ICU5]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=G541P2ICU5", "doc_type": "SRS", "public_domain": true, "document_date": 1493393585000, "tags": [ "NOMEN" ] }, { "uuid": "5882ab06-2c30-44e7-90d4-25597b190995", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "17ccb113-8729-47e6-7f38-fb28cae7469a", "citation": "EPA CompTox", "doc_type": "EPA", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "3e4850e8-8753-4217-9304-647fa0e710b4", "id": "3e4850e8-8753-4217-9304-647fa0e710b4", "molfile": "\n Marvin 01132103182D \n\n 15 15 0 0 0 0 999 V2000\n 11.7949 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0804 -3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3659 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3659 -2.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6515 -3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9370 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2225 -3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 8.2225 -4.2932 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 8.9370 -4.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5081 -4.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7936 -4.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0791 -4.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7936 -3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5081 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 7.5081 -2.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 2 1 0 0 0 0\n 3 4 2 0 0 0 0\n 5 3 1 0 0 0 0\n 6 5 2 0 0 0 0\n 7 6 1 0 0 0 0\n 8 7 1 0 0 0 0\n 7 14 1 0 0 0 0\n 8 9 1 0 0 0 0\n 10 8 1 0 0 0 0\n 11 10 1 0 0 0 0\n 11 12 1 0 0 0 0\n 13 11 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\nM END", "smiles": "CCC(=O)/C=C/C1C(C)C=C(C)CC1C", "formula": "C14H22O", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "d62369ec-e12a-44d8-9ee1-d66ab0b4a20c" }, "defined_stereo": 0, "ez_centers": 1, "molecular_weight": "206.3244", "optical_activity": "UNSPECIFIED", "stereo_centers": 3 } ], "definition_level": "COMPLETE", "uuid": "d51d16c2-18c0-4225-98d4-79443fe83850", "version": "6", "structure": { "id": "298aeb86-ca22-485d-8fb6-ee284c5b3100", "molfile": "\n Marvin 01132102162D \n\n 15 15 0 0 0 0 999 V2000\n 6.7936 -3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7936 -4.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0791 -4.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5081 -4.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2225 -4.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9370 -4.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2225 -3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9370 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6515 -3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3659 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3659 -2.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0804 -3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7949 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5081 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5081 -2.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 1 14 1 0 0 0 0\n 14 15 1 0 0 0 0\nM END", "smiles": "CCC(=O)/C=C/C1C(C)C=C(C)CC1C", "formula": "C14H22O", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 1, "molecular_weight": "206.3244", "optical_activity": "UNSPECIFIED", "references": [ "fe5b13d7-7781-4df2-962e-c1c146e8460e", "514f6d2e-5629-476b-92a7-d5e73bbc4a04" ], "stereo_centers": 3 }, "unii": "G541P2ICU5" } ] }