{ "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": "60e84ec2-25fc-4e3a-87b5-604cc5ef375b", "code": "93221", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/93221", "code_system": "PUBCHEM", "references": [ "1a564510-3bea-42ef-9ef1-e225a75aba15" ] }, { "uuid": "deccae37-3d36-4538-a405-6936d72107dc", "code": "40601-76-1", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=40601-76-1", "code_system": "CAS", "references": [ "1a564510-3bea-42ef-9ef1-e225a75aba15", "4e8c0e36-c882-4cc0-9016-a8611bb49cf3" ] }, { "uuid": "a4d90ad9-7dad-46de-883d-87d22734d480", "code": "254-996-9", "type": "PRIMARY", "url": "https://echa.europa.eu/substance-information/-/substanceinfo/100.049.980", "code_system": "ECHA (EC/EINECS)", "references": [ "1a564510-3bea-42ef-9ef1-e225a75aba15" ] }, { "uuid": "0cfaa9e3-4ea2-8937-12f4-0f896e71f0cd", "code": "DTXSID8028008", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID8028008", "code_system": "EPA CompTox", "references": [ "3047ee15-ff4c-0bd7-de50-9df23de32f76" ] }, { "uuid": "c8e481de-182e-48c8-afa1-fd7f34bbe593", "code": "253H13NWCQ", "type": "PRIMARY", "code_system": "FDA UNII" } ], "substance_class": "chemical", "names": [ { "uuid": "0fb3e13b-b807-4a09-a057-98242f85f4b5", "name": "1,3,5-TRI(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE", "stdName": "1,3,5-TRI(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": true }, { "uuid": "bc78b961-f3b0-486f-983e-4cb2c8b34ba4", "name": "1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS((4-(1,1-DIMETHYLETHYL)-3-HYDROXY-2,6-DIMETHYLPHENYL)METHYL)-", "stdName": "1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS((4-(1,1-DIMETHYLETHYL)-3-HYDROXY-2,6-DIMETHYLPHENYL)METHYL)-", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "4bbae73a-3d21-4533-b6e5-0ca95384ed9c", "name": "1,3,5-TRIS((4-TERT-BUTYL-3-HYDROXY-2,6-XYLYL)METHYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE", "stdName": "1,3,5-TRIS((4-TERT-BUTYL-3-HYDROXY-2,6-XYLYL)METHYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "33c4eece-561f-4942-afed-df63dac7a466", "name": "1,3,5-TRIS(2,6-DIMETHYL-4-TERT-BUTYL-3-HYDROXYBENZYL) ISOCYANURATE", "stdName": "1,3,5-TRIS(2,6-DIMETHYL-4-TERT-BUTYL-3-HYDROXYBENZYL) ISOCYANURATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "0e32c09a-e515-4145-b86b-546bdae5fe64", "name": "1,3,5-TRIS(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL) ISOCYANURATE", "stdName": "1,3,5-TRIS(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL) ISOCYANURATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "d16d8628-a16c-4a03-b0b8-8d7fc64486af", "name": "1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE", "stdName": "1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "e52f9570-1434-4639-8484-1e97a87690fc", "name": "1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)-S-TRIAZINE-2,4,6-(1H,3H,5H)-TRIONE", "stdName": "1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)-S-TRIAZINE-2,4,6-(1H,3H,5H)-TRIONE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "7f9edca2-111d-46bc-9e74-5cb0dd1facb1", "name": "1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)ISOCYANURIC ACID", "stdName": "1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)ISOCYANURIC ACID", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "6988f4d5-bb87-43f9-9602-725c940757f9", "name": "1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLPHENYLMETHYL)-1,3,5-TRIAZINE-2,4,6-(1H,3H,5H)TRIONE", "stdName": "1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLPHENYLMETHYL)-1,3,5-TRIAZINE-2,4,6-(1H,3H,5H)TRIONE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "fe9d6c24-376e-4d14-aa43-89d835f92160", "name": "ADK-ARKLS DH 48", "stdName": "ADK-ARKLS DH 48", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "63895834-a3a0-4f0c-8dd9-3044d05d1f20", "name": "ANTIOXIDANT 1790", "stdName": "ANTIOXIDANT 1790", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "b83295fb-5624-4b26-9804-9b2778e07dd2", "name": "CYANOX 1790", "stdName": "CYANOX 1790", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "14febafa-a6f8-47b8-972a-95e0034e4d6b", "name": "CYNOMIX 1790", "stdName": "CYNOMIX 1790", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "9099f8e2-629c-4162-9999-3b14172d2129", "name": "IRGANOX 3790", "stdName": "IRGANOX 3790", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false }, { "uuid": "404e8753-ac06-4ab8-9e64-42c810ac7ca7", "name": "LOWINOX 1790", "stdName": "LOWINOX 1790", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "0b453b0f-3d99-4587-aed2-08cc8b832652" ], "display_name": false } ], "references": [ { "uuid": "0b453b0f-3d99-4587-aed2-08cc8b832652", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "a5accaf0-a01d-49f2-b8a7-a59f3fe3f83b", "citation": "STN (SCIFINDER)", "doc_type": "STN (SCIFINDER)", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "1a564510-3bea-42ef-9ef1-e225a75aba15", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391031000, "tags": [ "NOMEN" ] }, { "uuid": "02d707ae-ec32-4539-a7fd-b35d50c13f30", "citation": "SRS import [253H13NWCQ]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=253H13NWCQ", "doc_type": "SRS", "public_domain": true, "document_date": 1493391031000, "tags": [ "NOMEN" ] }, { "uuid": "114ec0ee-e32e-4a98-85d1-f037933cad91", "citation": "CHEMID 2011", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "4e8c0e36-c882-4cc0-9016-a8611bb49cf3", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "3047ee15-ff4c-0bd7-de50-9df23de32f76", "citation": "WEBSITE", "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=40601-76-1", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "2ec79391-7c5d-41e3-a97e-b54cab9581ce", "id": "2ec79391-7c5d-41e3-a97e-b54cab9581ce", "molfile": "\n Marvin 01132102312D \n\n 51 54 0 0 0 0 999 V2000\n 15.0654 -12.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7922 -12.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5044 -12.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2414 -12.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2414 -11.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9635 -10.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5454 -10.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5454 -9.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7922 -11.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9105 -11.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3886 -10.4070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6850 -10.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6850 -11.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9720 -10.4070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8911 -10.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5155 -11.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8298 -10.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8298 -9.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0726 -11.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0726 -12.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7779 -12.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7779 -13.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5155 -11.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2985 -12.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3438 -12.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9456 -11.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7420 -13.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6190 -12.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9720 -9.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1111 -9.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6850 -9.1757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2579 -8.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6804 -7.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3926 -7.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1141 -7.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3926 -6.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6619 -5.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9541 -6.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2327 -5.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9541 -7.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1790 -7.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6619 -5.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4869 -5.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8460 -5.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6619 -4.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3886 -9.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0968 -9.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9392 -12.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3536 -11.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6467 -12.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5332 -13.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 0 0 0 0\n 2 9 2 0 0 0 0\n 4 3 2 0 0 0 0\n 5 4 1 0 0 0 0\n 48 4 1 0 0 0 0\n 6 5 1 0 0 0 0\n 5 7 2 0 0 0 0\n 8 7 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 46 11 1 0 0 0 0\n 13 12 2 0 0 0 0\n 12 14 1 0 0 0 0\n 15 14 1 0 0 0 0\n 29 14 1 0 0 0 0\n 16 15 1 0 0 0 0\n 17 16 1 0 0 0 0\n 23 16 2 0 0 0 0\n 18 17 1 0 0 0 0\n 19 17 2 0 0 0 0\n 20 19 1 0 0 0 0\n 21 20 2 0 0 0 0\n 25 20 1 0 0 0 0\n 22 21 1 0 0 0 0\n 21 23 1 0 0 0 0\n 24 23 1 0 0 0 0\n 26 25 1 0 0 0 0\n 27 25 1 0 0 0 0\n 28 25 1 0 0 0 0\n 30 29 2 0 0 0 0\n 31 29 1 0 0 0 0\n 32 31 1 0 0 0 0\n 46 31 1 0 0 0 0\n 33 32 1 0 0 0 0\n 34 33 1 0 0 0 0\n 40 33 2 0 0 0 0\n 35 34 1 0 0 0 0\n 36 34 2 0 0 0 0\n 37 36 1 0 0 0 0\n 38 37 2 0 0 0 0\n 42 37 1 0 0 0 0\n 39 38 1 0 0 0 0\n 38 40 1 0 0 0 0\n 41 40 1 0 0 0 0\n 43 42 1 0 0 0 0\n 44 42 1 0 0 0 0\n 45 42 1 0 0 0 0\n 47 46 2 0 0 0 0\n 49 48 1 0 0 0 0\n 50 48 1 0 0 0 0\n 51 48 1 0 0 0 0\nM END", "smiles": "Cc1cc(c(c(C)c1Cn2c(=O)n(Cc3c(C)cc(c(c3C)O)C(C)(C)C)c(=O)n(Cc4c(C)cc(c(c4C)O)C(C)(C)C)c2=O)O)C(C)(C)C", "formula": "C42H57N3O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "164c004e-3cdf-4b37-83d4-47a91c216032" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "699.9201", "optical_activity": "NONE", "stereo_centers": 0 } ], "definition_level": "COMPLETE", "uuid": "8ac4f439-869f-4e71-aa75-b33905571973", "version": "4", "structure": { "id": "f692b057-c5b3-44bf-bca8-fdd49bd19e71", "molfile": "\n Marvin 01132112472D \n\n 51 54 0 0 0 0 999 V2000\n 13.6804 -7.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2579 -8.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6850 -9.1757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9720 -9.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9720 -10.4070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6850 -10.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3886 -10.4070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9105 -11.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7922 -11.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5454 -10.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2414 -11.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9635 -10.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2414 -12.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5044 -12.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7922 -12.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0654 -12.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9392 -12.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3536 -11.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6467 -12.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5332 -13.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5454 -9.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3886 -9.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0968 -9.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6850 -11.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8911 -10.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5155 -11.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5155 -11.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7779 -12.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7779 -13.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0726 -12.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0726 -11.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8298 -10.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8298 -9.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3438 -12.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9456 -11.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7420 -13.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6190 -12.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2985 -12.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1111 -9.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9541 -7.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1790 -7.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9541 -6.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6619 -5.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3926 -6.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3926 -7.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1141 -7.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6619 -5.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4869 -5.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8460 -5.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6619 -4.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2327 -5.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 6 5 1 0 0 0 0\n 7 6 1 0 0 0 0\n 8 7 1 0 0 0 0\n 9 8 1 0 0 0 0\n 10 9 1 0 0 0 0\n 11 10 2 0 0 0 0\n 12 11 1 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 9 2 0 0 0 0\n 16 15 1 0 0 0 0\n 17 13 1 0 0 0 0\n 18 17 1 0 0 0 0\n 19 17 1 0 0 0 0\n 20 17 1 0 0 0 0\n 21 10 1 0 0 0 0\n 22 7 1 0 0 0 0\n 22 3 1 0 0 0 0\n 23 22 2 0 0 0 0\n 24 6 2 0 0 0 0\n 25 5 1 0 0 0 0\n 26 25 1 0 0 0 0\n 27 26 2 0 0 0 0\n 28 27 1 0 0 0 0\n 29 28 1 0 0 0 0\n 28 30 2 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 2 0 0 0 0\n 32 26 1 0 0 0 0\n 33 32 1 0 0 0 0\n 34 30 1 0 0 0 0\n 35 34 1 0 0 0 0\n 36 34 1 0 0 0 0\n 37 34 1 0 0 0 0\n 38 27 1 0 0 0 0\n 39 4 2 0 0 0 0\n 40 1 2 0 0 0 0\n 41 40 1 0 0 0 0\n 42 40 1 0 0 0 0\n 42 43 2 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 2 0 0 0 0\n 46 45 1 0 0 0 0\n 45 1 1 0 0 0 0\n 47 43 1 0 0 0 0\n 48 47 1 0 0 0 0\n 49 47 1 0 0 0 0\n 50 47 1 0 0 0 0\n 51 42 1 0 0 0 0\nM END", "smiles": "Cc1cc(c(c(C)c1Cn2c(=O)n(Cc3c(C)cc(c(c3C)O)C(C)(C)C)c(=O)n(Cc4c(C)cc(c(c4C)O)C(C)(C)C)c2=O)O)C(C)(C)C", "formula": "C42H57N3O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "699.9201", "optical_activity": "NONE", "references": [ "114ec0ee-e32e-4a98-85d1-f037933cad91", "02d707ae-ec32-4539-a7fd-b35d50c13f30" ], "stereo_centers": 0 }, "unii": "253H13NWCQ" } ] }