{ "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": "d7be8aa0-85a2-4a04-ae86-10d7aec09183", "code": "179186-48-2", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=179186-48-2", "code_system": "CAS", "references": [ "42ff4eef-0f26-44f8-ae97-771692ce4a0d", "87f41a37-de69-44c7-8dcb-1b8794948613" ] }, { "uuid": "a15539b6-42e6-4a47-a89a-b260becc5ad1", "code": "100403-19-8", "type": "GENERIC (FAMILY)", "url": "https://commonchemistry.cas.org/detail?cas_rn=100403-19-8", "code_system": "CAS", "references": [ "42ff4eef-0f26-44f8-ae97-771692ce4a0d", "158a0ed2-9956-4ac1-8416-eec7ced5207b" ] }, { "uuid": "4c7ef22f-5066-4e63-aab4-9a81071fbd72", "code": "73425489", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/73425489", "code_system": "PUBCHEM", "references": [ "42ff4eef-0f26-44f8-ae97-771692ce4a0d" ] }, { "uuid": "741398eb-056f-465b-a373-b449b6812212", "code": "9GJK960DEY", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "41fcdaf7-a04b-6339-ce3e-efce959d13e5", "code": "DTXSID701021284", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID701021284", "code_system": "EPA CompTox" }, { "uuid": "fcc5a586-9925-7096-7812-dc68b3da20d0", "code": "100000175074", "type": "PRIMARY", "code_system": "SMS_ID", "references": [ "bf33e393-7b9a-e336-f8b9-7e786b98d894" ] } ], "substance_class": "chemical", "names": [ { "uuid": "fb056735-d089-48ad-bd34-a4bb9b49e798", "name": "1,3,4-OCTADECANETRIOL, 2-LINOLENOYLHEPTACOSAMIDE", "stdName": "1,3,4-OCTADECANETRIOL, 2-LINOLENOYLHEPTACOSAMIDE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "ab361218-12e7-4e1c-ba80-4623a17146e7", "a9126f8e-7784-4883-9457-265f794abee0" ], "display_name": false }, { "uuid": "04eefa37-ae62-4aff-a5b2-6bbf9cde586b", "name": "9,12-OCTADECADIENOIC ACID, 27-((2,3-DIHYDROXY-1-(HYDROXYMETHYL)HEPTADECYL)AMINO)-27-OXOHEPTACOSYL ESTER, (1S-(1R*(9Z,12Z),2R*,3S*))-", "stdName": "9,12-OCTADECADIENOIC ACID, 27-((2,3-DIHYDROXY-1-(HYDROXYMETHYL)HEPTADECYL)AMINO)-27-OXOHEPTACOSYL ESTER, (1S-(1R*(9Z,12Z),2R*,3S*))-", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "17dabd12-7475-499b-9624-0763447d38fd", "a9126f8e-7784-4883-9457-265f794abee0" ], "display_name": false }, { "uuid": "f4628532-3ee3-4192-8bdd-429b00098cd5", "name": "CERAMIDE 1 A", "stdName": "CERAMIDE 1 A", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "ab361218-12e7-4e1c-ba80-4623a17146e7", "a9126f8e-7784-4883-9457-265f794abee0" ], "display_name": true }, { "uuid": "07efb0ad-4926-4200-a457-3faa95314a41", "name": "LINOLEOYLOXYHEPTACOSANOYL-C18-PHYTOSPHINGOSINE", "stdName": "LINOLEOYLOXYHEPTACOSANOYL-C18-PHYTOSPHINGOSINE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "ab361218-12e7-4e1c-ba80-4623a17146e7", "a9126f8e-7784-4883-9457-265f794abee0" ], "display_name": false } ], "references": [ { "uuid": "ab361218-12e7-4e1c-ba80-4623a17146e7", "citation": "PCPC-DB", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "a9126f8e-7784-4883-9457-265f794abee0", "citation": "PERSONAL CARE PRODUCTS COUNCIL", "doc_type": "PERSONAL CARE PRODUCTS COUNCIL", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "17dabd12-7475-499b-9624-0763447d38fd", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "42ff4eef-0f26-44f8-ae97-771692ce4a0d", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391945000, "tags": [ "NOMEN" ] }, { "uuid": "c90305c5-7869-47b3-a75a-723406a607a5", "citation": "SRS import [9GJK960DEY]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=9GJK960DEY", "doc_type": "SRS", "public_domain": true, "document_date": 1493391945000, "tags": [ "NOMEN" ] }, { "uuid": "87f41a37-de69-44c7-8dcb-1b8794948613", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "158a0ed2-9956-4ac1-8416-eec7ced5207b", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "bf33e393-7b9a-e336-f8b9-7e786b98d894", "citation": "EU-SRS", "doc_type": "EMA LIST", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "5a9e57c2-7ade-4299-87af-b76fc27f6fab", "id": "5a9e57c2-7ade-4299-87af-b76fc27f6fab", "molfile": "\n Marvin 01132104422D \n\n 70 69 0 0 1 0 999 V2000\n 34.2755 -13.5447 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 34.6880 -14.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 34.6880 -12.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.5130 -12.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.9255 -12.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.7505 -12.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.1630 -11.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.9880 -11.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.4005 -10.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.2255 -10.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.6380 -9.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.4630 -9.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.8755 -9.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.7004 -9.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1129 -8.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.9379 -8.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 33.4505 -13.5447 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 33.0380 -12.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 33.0380 -14.2593 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 33.4505 -14.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 33.0380 -15.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 32.2130 -14.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 31.8005 -14.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.2130 -15.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 30.9755 -14.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.5630 -15.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.7380 -15.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.3255 -16.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.5005 -16.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.0880 -17.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.2630 -17.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.8505 -17.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.0255 -17.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.6132 -18.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7882 -18.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3757 -19.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5507 -19.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1382 -19.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3132 -19.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.9007 -20.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.0757 -20.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6632 -21.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.8382 -21.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4257 -22.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6007 -22.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1882 -22.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3632 -22.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9507 -23.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1257 -23.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7132 -24.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8882 -24.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4757 -24.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8882 -25.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6507 -24.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2382 -25.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4132 -25.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0007 -26.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1757 -26.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7632 -27.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9383 -27.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5258 -27.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7008 -27.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2883 -27.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4633 -27.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0508 -27.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4633 -28.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0508 -29.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2258 -29.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8133 -29.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9883 -29.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 1 0 0 0\n 1 3 1 0 0 0 0\n 17 1 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 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 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 17 18 1 6 0 0 0\n 19 17 1 0 0 0 0\n 19 20 1 0 0 0 0\n 19 22 1 6 0 0 0\n 20 21 1 0 0 0 0\n 23 22 1 0 0 0 0\n 23 24 2 0 0 0 0\n 25 23 1 0 0 0 0\n 26 25 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 52 53 2 0 0 0 0\n 52 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 57 58 1 0 0 0 0\n 58 59 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 61 62 2 0 0 0 0\n 62 63 1 0 0 0 0\n 63 64 1 0 0 0 0\n 64 65 2 0 0 0 0\n 65 66 1 0 0 0 0\n 66 67 1 0 0 0 0\n 67 68 1 0 0 0 0\n 68 69 1 0 0 0 0\n 69 70 1 0 0 0 0\nM END", "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O", "formula": "C63H121NO6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "938cba23-048b-43e5-ac52-e4b73657105d" }, "defined_stereo": 3, "ez_centers": 2, "molecular_weight": "988.6403", "optical_activity": "UNSPECIFIED", "stereo_centers": 3 } ], "definition_level": "COMPLETE", "uuid": "bcf11e4b-a87f-4797-926f-ce3ff098a4fa", "version": "5", "structure": { "id": "3f4085a7-368a-469b-a576-aa49a5e87422", "molfile": "\n Marvin 01132103212D \n\n 70 69 0 0 1 0 999 V2000\n 34.6880 -12.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.5130 -12.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.9255 -12.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.7505 -12.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.1630 -11.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.9880 -11.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.4005 -10.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.2255 -10.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.6380 -9.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.4630 -9.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.8755 -9.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.7004 -9.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1129 -8.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.9379 -8.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.2755 -13.5447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 34.6880 -14.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 33.4505 -13.5447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 33.0380 -12.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 33.0380 -14.2593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 33.4505 -14.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 33.0380 -15.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 32.2130 -14.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 31.8005 -14.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.2130 -15.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 30.9755 -14.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.5630 -15.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.7380 -15.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.3255 -16.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.5005 -16.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.0880 -17.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.2630 -17.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.8505 -17.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.0255 -17.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.6132 -18.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7882 -18.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3757 -19.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5507 -19.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1382 -19.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3132 -19.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.9007 -20.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.0757 -20.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6632 -21.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.8382 -21.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4257 -22.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6007 -22.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1882 -22.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3632 -22.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9507 -23.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1257 -23.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7132 -24.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8882 -24.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4757 -24.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6507 -24.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2382 -25.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4132 -25.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0007 -26.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1757 -26.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7632 -27.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9383 -27.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5258 -27.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7008 -27.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2883 -27.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4633 -27.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0508 -27.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4633 -28.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0508 -29.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2258 -29.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8133 -29.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9883 -29.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8882 -25.6906 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 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 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 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 15 1 1 0 0 0 0\n 15 16 1 1 0 0 0\n 17 15 1 0 0 0 0\n 17 18 1 6 0 0 0\n 19 17 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 19 22 1 6 0 0 0\n 23 22 1 0 0 0 0\n 23 24 2 0 0 0 0\n 25 23 1 0 0 0 0\n 26 25 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 52 53 1 0 0 0 0\n 53 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 57 58 1 0 0 0 0\n 58 59 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 61 2 0 0 0 0\n 61 62 1 0 0 0 0\n 62 63 1 0 0 0 0\n 63 64 2 0 0 0 0\n 64 65 1 0 0 0 0\n 65 66 1 0 0 0 0\n 66 67 1 0 0 0 0\n 67 68 1 0 0 0 0\n 68 69 1 0 0 0 0\n 52 70 2 0 0 0 0\nM END", "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O", "formula": "C63H121NO6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 3, "ez_centers": 2, "molecular_weight": "988.6403", "optical_activity": "UNSPECIFIED", "references": [ "ab361218-12e7-4e1c-ba80-4623a17146e7", "c90305c5-7869-47b3-a75a-723406a607a5" ], "stereo_centers": 3 }, "unii": "9GJK960DEY" } ] }