{ "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": "2026-09-09", "results": { "skip": 0, "limit": 1, "total": 1 } }, "results": [ { "codes": [ { "uuid": "6d5471c0-f2d3-482c-bb07-067c3061c2b3", "code": "945031-36-7", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=945031-36-7", "code_system": "CAS", "references": [ "55f2b74a-ca98-4570-bba7-3ea562529e26", "0483b2c2-5c5b-440f-8773-86196112e9c7" ] }, { "uuid": "4b2a573a-60a6-4d59-b2b3-49123f3bc1c2", "code": "922708-02-9", "type": "ALTERNATIVE", "url": "https://commonchemistry.cas.org/detail?cas_rn=922708-02-9", "code_system": "CAS", "references": [ "55f2b74a-ca98-4570-bba7-3ea562529e26", "1288fcc2-5d30-4fab-a421-bda7226e6060" ] }, { "uuid": "1cf13e54-f850-46b0-8715-ab2b67276463", "code": "71587884", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/71587884", "code_system": "PUBCHEM", "references": [ "55f2b74a-ca98-4570-bba7-3ea562529e26" ] }, { "uuid": "04014cfc-be58-1ecc-1324-b2d558a5f671", "code": "1376099", "type": "PRIMARY", "url": "https://rxnav.nlm.nih.gov/REST/rxcui/1376099/allProperties.xml?prop=all", "code_system": "RXCUI" }, { "uuid": "7f9f06da-f719-4c27-888d-1627b219ee7b", "code": "3Y9NJ5Z7E5", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "7e50698a-e12a-91f6-2d33-5633a505ef2b", "code": "3Y9NJ5Z7E5", "type": "PRIMARY", "url": "https://dailymed.nlm.nih.gov/dailymed/search.cfm?adv=1&query=3Y9NJ5Z7E5", "code_system": "DAILYMED", "references": [ "999129f9-15dd-ae0d-ef9b-487729d70956" ] } ], "substance_class": "chemical", "names": [ { "uuid": "d4d7a003-ce3c-49f4-b59a-2b1ae6eeeb22", "name": "GLYCERYL TRIBEHENATE/ISOSTEARATE/EICOSANDIOATE", "stdName": "GLYCERYL TRIBEHENATE/ISOSTEARATE/EICOSANDIOATE", "type": "of", "languages": [ "en" ], "preferred": false, "references": [ "283bcecd-d86b-484c-be33-31315960e01e", "033f5738-96ac-4db6-a5b3-20b6d34c0e2b", "f3eecf72-31c1-4147-9bb1-22fc1bb2666d" ], "display_name": true, "domains": [ "cosmetic" ], "name_orgs": [ { "uuid": "b4e838c2-a446-4330-ab87-1703c1d79e5c", "name_org": "INCI" } ] }, { "uuid": "7a41e596-60b5-41ba-bec5-be2f1741f255", "name": "NOMCORT SG", "stdName": "NOMCORT SG", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "283bcecd-d86b-484c-be33-31315960e01e", "f3eecf72-31c1-4147-9bb1-22fc1bb2666d" ], "display_name": false } ], "references": [ { "uuid": "283bcecd-d86b-484c-be33-31315960e01e", "citation": "PCPC-DB", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "f3eecf72-31c1-4147-9bb1-22fc1bb2666d", "citation": "PERSONAL CARE PRODUCTS COUNCIL", "doc_type": "PERSONAL CARE PRODUCTS COUNCIL", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "55f2b74a-ca98-4570-bba7-3ea562529e26", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391755000, "tags": [ "NOMEN" ] }, { "uuid": "c6b2c765-1904-43a5-9c7f-84107b876432", "citation": "SRS import [3Y9NJ5Z7E5]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=3Y9NJ5Z7E5", "doc_type": "SRS", "public_domain": true, "document_date": 1493391755000, "tags": [ "NOMEN" ] }, { "uuid": "aada1373-369a-4cf1-86da-b3c16991b4e6", "citation": "FDA_SRS", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "033f5738-96ac-4db6-a5b3-20b6d34c0e2b", "citation": "GLYCERYL TRIBEHENATE/ISOSTEARATE/EICOSANDIOATE [INCI]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "0483b2c2-5c5b-440f-8773-86196112e9c7", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "1288fcc2-5d30-4fab-a421-bda7226e6060", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "999129f9-15dd-ae0d-ef9b-487729d70956", "citation": "DailyMed", "doc_type": "DAILYMED", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "e323d78e-deb6-4afe-84c1-90bca5a41ffc", "id": "e323d78e-deb6-4afe-84c1-90bca5a41ffc", "molfile": "\n Marvin 01132111452D \n\n120119 0 0 0 0 999 V2000\n 20.1025 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3880 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6735 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9591 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2446 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5301 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8156 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1012 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3867 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6722 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9578 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2433 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5288 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8144 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0999 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3854 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6710 -13.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9565 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2420 -13.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5276 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8131 -13.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0987 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3842 -13.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0987 -15.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8131 -15.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8131 -16.4069 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 6.5276 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2421 -16.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2421 -15.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9565 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6710 -16.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3855 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0999 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8144 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5288 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2433 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9578 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6722 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3867 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1012 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8156 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5301 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2446 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9591 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6735 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3880 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1025 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8170 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8170 -17.6443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.5314 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1634 -16.9371 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 22.0201 -17.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.6521 -18.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5089 -19.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7337 -19.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1409 -19.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9976 -20.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.6296 -20.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.4863 -21.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.1183 -22.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9751 -23.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.6071 -23.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.4638 -24.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.0958 -24.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9525 -25.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5845 -26.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.4413 -27.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.0733 -27.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9300 -28.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.5620 -29.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.3372 -28.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4188 -29.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9386 -16.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0819 -15.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8572 -15.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 22.4499 -15.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5932 -14.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.9612 -13.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1044 -13.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4724 -12.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6157 -11.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9838 -11.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1270 -10.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4950 -9.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6383 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0063 -8.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1495 -7.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5175 -7.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6608 -6.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0288 -5.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1721 -5.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5401 -4.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6833 -3.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0513 -3.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1946 -2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5626 -1.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0987 -16.8193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0987 -17.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3842 -18.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8131 -18.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8132 -18.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5276 -19.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5276 -20.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2421 -20.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2421 -21.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9565 -21.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9566 -22.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6710 -23.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6710 -23.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3855 -24.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3855 -25.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1000 -25.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1000 -26.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8144 -26.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8144 -27.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5289 -27.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5289 -28.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2434 -29.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2434 -30.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9578 -30.4318 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 4 3 1 0 0 0 0\n 5 4 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 1 0 0 0 0\n 12 11 1 0 0 0 0\n 13 12 1 0 0 0 0\n 14 13 1 0 0 0 0\n 15 14 1 0 0 0 0\n 16 15 1 0 0 0 0\n 17 16 1 0 0 0 0\n 18 17 1 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 1 0 0 0 0\n 21 20 1 0 0 0 0\n 22 21 1 0 0 0 0\n 22 23 2 0 0 0 0\n 22 24 1 0 0 0 0\n 25 24 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 26 97 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 2 0 0 0 0\n 30 28 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 2 0 0 0 0\n 48 50 1 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 51 73 1 0 0 0 0\n 52 53 1 0 0 0 0\n 54 53 1 0 0 0 0\n 54 55 2 0 0 0 0\n 54 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 1 0 0 0 0\n 62 63 1 0 0 0 0\n 63 64 1 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 69 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 70 72 1 0 0 0 0\n 74 73 1 0 0 0 0\n 74 75 2 0 0 0 0\n 74 76 1 0 0 0 0\n 76 77 1 0 0 0 0\n 77 78 1 0 0 0 0\n 78 79 1 0 0 0 0\n 79 80 1 0 0 0 0\n 80 81 1 0 0 0 0\n 81 82 1 0 0 0 0\n 82 83 1 0 0 0 0\n 83 84 1 0 0 0 0\n 84 85 1 0 0 0 0\n 85 86 1 0 0 0 0\n 86 87 1 0 0 0 0\n 87 88 1 0 0 0 0\n 88 89 1 0 0 0 0\n 89 90 1 0 0 0 0\n 90 91 1 0 0 0 0\n 91 92 1 0 0 0 0\n 92 93 1 0 0 0 0\n 93 94 1 0 0 0 0\n 94 95 1 0 0 0 0\n 95 96 1 0 0 0 0\n 98 97 1 0 0 0 0\n 98 99 2 0 0 0 0\n 98100 1 0 0 0 0\n100101 1 0 0 0 0\n101102 1 0 0 0 0\n102103 1 0 0 0 0\n103104 1 0 0 0 0\n104105 1 0 0 0 0\n105106 1 0 0 0 0\n106107 1 0 0 0 0\n107108 1 0 0 0 0\n108109 1 0 0 0 0\n109110 1 0 0 0 0\n110111 1 0 0 0 0\n111112 1 0 0 0 0\n112113 1 0 0 0 0\n113114 1 0 0 0 0\n114115 1 0 0 0 0\n115116 1 0 0 0 0\n116117 1 0 0 0 0\n117118 1 0 0 0 0\n118119 1 0 0 0 0\n119120 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC(=O)CCCCCCCCCCCCCCCCCCC(=O)CC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC", "formula": "C110H210O10", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "61a40c6f-faf2-4b81-8497-27e0de0b4cac" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1692.8426", "optical_activity": "UNSPECIFIED", "stereo_centers": 2 } ], "definition_level": "REPRESENTATIVE", "uuid": "27076e66-ce54-4536-89f3-c97961c73e2d", "version": "5", "structure": { "id": "4907bef3-1295-4d0a-915c-61fcbbeb089c", "molfile": "\n Marvin 01132103492D \n\n120119 0 0 0 0 999 V2000\n 22.5089 -19.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.6521 -18.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0201 -17.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1634 -16.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.5314 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8170 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1025 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3880 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6735 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9591 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2446 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5301 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8156 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1012 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3867 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6722 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9578 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2433 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5288 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8144 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0999 -16.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3855 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6710 -16.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9565 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2421 -16.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2421 -15.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5276 -16.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8131 -16.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0987 -16.8193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0987 -17.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3842 -18.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8131 -18.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8132 -18.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5276 -19.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5276 -20.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2421 -20.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2421 -21.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9565 -21.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9566 -22.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6710 -23.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6710 -23.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3855 -24.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3855 -25.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1000 -25.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1000 -26.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8144 -26.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8144 -27.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5289 -27.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5289 -28.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2434 -29.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2434 -30.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9578 -30.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8131 -15.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0987 -15.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0987 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3842 -13.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8131 -13.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5276 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2420 -13.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9565 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6710 -13.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3854 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0999 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8144 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5288 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2433 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9578 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6722 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3867 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1012 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8156 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5301 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2446 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9591 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6735 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3880 -14.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1025 -13.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8170 -17.6443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9386 -16.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0819 -15.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8572 -15.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 22.4499 -15.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5932 -14.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.9612 -13.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1044 -13.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4724 -12.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6157 -11.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9838 -11.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1270 -10.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4950 -9.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6383 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0063 -8.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1495 -7.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5175 -7.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6608 -6.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0288 -5.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1721 -5.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5401 -4.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6833 -3.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0513 -3.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1946 -2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5626 -1.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7337 -19.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1409 -19.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9976 -20.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.6296 -20.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.4863 -21.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.1183 -22.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9751 -23.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.6071 -23.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.4638 -24.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.0958 -24.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9525 -25.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5845 -26.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.4413 -27.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.0733 -27.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9300 -28.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.5620 -29.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.3372 -28.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4188 -29.8343 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 4 3 1 0 0 0 0\n 5 4 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 1 0 0 0 0\n 12 11 1 0 0 0 0\n 13 12 1 0 0 0 0\n 14 13 1 0 0 0 0\n 15 14 1 0 0 0 0\n 16 15 1 0 0 0 0\n 17 16 1 0 0 0 0\n 18 17 1 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 1 0 0 0 0\n 21 20 1 0 0 0 0\n 22 21 1 0 0 0 0\n 23 22 1 0 0 0 0\n 24 23 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 2 0 0 0 0\n 27 25 1 0 0 0 0\n 28 27 1 0 0 0 0\n 28 29 1 0 0 0 0\n 30 29 1 0 0 0 0\n 30 31 2 0 0 0 0\n 30 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 53 28 1 0 0 0 0\n 53 54 1 0 0 0 0\n 55 54 1 0 0 0 0\n 55 56 2 0 0 0 0\n 55 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 1 0 0 0 0\n 62 63 1 0 0 0 0\n 63 64 1 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 69 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 72 73 1 0 0 0 0\n 73 74 1 0 0 0 0\n 74 75 1 0 0 0 0\n 75 76 1 0 0 0 0\n 76 77 1 0 0 0 0\n 6 78 2 0 0 0 0\n 4 79 1 0 0 0 0\n 80 79 1 0 0 0 0\n 80 81 2 0 0 0 0\n 80 82 1 0 0 0 0\n 82 83 1 0 0 0 0\n 83 84 1 0 0 0 0\n 84 85 1 0 0 0 0\n 85 86 1 0 0 0 0\n 86 87 1 0 0 0 0\n 87 88 1 0 0 0 0\n 88 89 1 0 0 0 0\n 89 90 1 0 0 0 0\n 90 91 1 0 0 0 0\n 91 92 1 0 0 0 0\n 92 93 1 0 0 0 0\n 93 94 1 0 0 0 0\n 94 95 1 0 0 0 0\n 95 96 1 0 0 0 0\n 96 97 1 0 0 0 0\n 97 98 1 0 0 0 0\n 98 99 1 0 0 0 0\n 99100 1 0 0 0 0\n100101 1 0 0 0 0\n101102 1 0 0 0 0\n 1103 2 0 0 0 0\n 1104 1 0 0 0 0\n104105 1 0 0 0 0\n105106 1 0 0 0 0\n106107 1 0 0 0 0\n107108 1 0 0 0 0\n108109 1 0 0 0 0\n109110 1 0 0 0 0\n110111 1 0 0 0 0\n111112 1 0 0 0 0\n112113 1 0 0 0 0\n113114 1 0 0 0 0\n114115 1 0 0 0 0\n115116 1 0 0 0 0\n116117 1 0 0 0 0\n117118 1 0 0 0 0\n118119 1 0 0 0 0\n118120 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC(=O)CCCCCCCCCCCCCCCCCCC(=O)CC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC", "formula": "C110H210O10", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1692.8426", "optical_activity": "UNSPECIFIED", "references": [ "c6b2c765-1904-43a5-9c7f-84107b876432", "aada1373-369a-4cf1-86da-b3c16991b4e6" ], "stereo_centers": 2 }, "unii": "3Y9NJ5Z7E5" } ] }