{ "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": "14516af2-4982-4c18-a622-5e94f8532fdd", "code": "63705-03-3", "type": "GENERIC (FAMILY)", "url": "https://commonchemistry.cas.org/detail?cas_rn=63705-03-3", "code_system": "CAS", "references": [ "e1ede5c2-1432-464c-8940-262c17c5bfdf", "89ec7ba7-8307-455c-b93f-45f2e11295ee" ] }, { "uuid": "d1e0e466-d9b4-4cba-b9c0-57060b3a6111", "code": "67938-21-0", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=67938-21-0", "code_system": "CAS", "references": [ "e1ede5c2-1432-464c-8940-262c17c5bfdf", "37e80454-9485-4850-a0fe-6052b7ba2f1e" ] }, { "uuid": "f36fa0e2-2b04-4771-aaf2-54e533edacc2", "code": "267-821-6", "type": "PRIMARY", "code_system": "ECHA (EC/EINECS)", "references": [ "e1ede5c2-1432-464c-8940-262c17c5bfdf" ] }, { "uuid": "7eca6966-93bc-4d77-90ab-249daa3711d8", "code": "1431226", "comments": "RxNorm", "type": "PRIMARY", "url": "https://rxnav.nlm.nih.gov/REST/rxcui/1431226/allProperties.xml?prop=all", "code_system": "RXCUI", "references": [ "e1ede5c2-1432-464c-8940-262c17c5bfdf" ] }, { "uuid": "9256b1d4-1fae-426d-92af-2493f552e279", "code": "10122822", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/10122822", "code_system": "PUBCHEM", "references": [ "e1ede5c2-1432-464c-8940-262c17c5bfdf" ] }, { "uuid": "20031a5b-6e8f-4cb2-baa7-fb9f4040af25", "code": "DG195GP57P", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "e4ff7e73-864d-478d-44ce-c0fa83059537", "code": "DTXSID301021513", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID301021513", "code_system": "EPA CompTox" }, { "uuid": "acff5fdc-d534-d6bb-4af0-895797ef5886", "code": "DG195GP57P", "type": "PRIMARY", "url": "https://dailymed.nlm.nih.gov/dailymed/search.cfm?adv=1&query=DG195GP57P", "code_system": "DAILYMED", "references": [ "cbc45c6b-757e-4d4d-ca68-3b14ad38fbe9" ] } ], "substance_class": "chemical", "names": [ { "uuid": "9c2d4cf6-fd5b-4e3b-8514-27c1bc43485d", "name": "AEC POLYGLYCERYL-2 DIISOSTEARATE", "stdName": "AEC POLYGLYCERYL-2 DIISOSTEARATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "6530318f-e1fd-4645-8094-1d3da0cf5cf2", "name": "CITHROL PG 22IS", "stdName": "CITHROL PG 22IS", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "805e3f8f-8b71-4abd-bbd4-0a5330d600c2", "name": "COSMOL 42V", "stdName": "COSMOL 42V", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "b8593044-7d91-4b67-8076-fc6c16414aa8", "name": "DERMOL DGDIS", "stdName": "DERMOL DGDIS", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "6c6d8aee-cb0f-4533-a1fa-627d52970175", "name": "DIGLYCERIN DIISOSTEARATE", "stdName": "DIGLYCERIN DIISOSTEARATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "097ae429-adbc-4df3-a598-ef2751b69737", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "0caaed5d-3c96-4568-9a00-599b380bd422", "name": "DIGLYCERYL DIISOSTEARATE", "stdName": "DIGLYCERYL DIISOSTEARATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "097ae429-adbc-4df3-a598-ef2751b69737" ], "display_name": false }, { "uuid": "96f4c040-5e13-4f8f-af66-4954d6723df6", "name": "ISOOCTADECANOIC ACID, DIESTER WITH OXYBIS(PROPANEDIOL)", "stdName": "ISOOCTADECANOIC ACID, DIESTER WITH OXYBIS(PROPANEDIOL)", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "097ae429-adbc-4df3-a598-ef2751b69737", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "137bbc65-e506-4506-b46b-3663b03033a9", "name": "MATSUNATE DI", "stdName": "MATSUNATE DI", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "c7271bf0-20a9-4756-971e-46552e9a10cf", "name": "MATSUNATE MI-220", "stdName": "MATSUNATE MI-220", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "51186c01-b547-4a9a-80d0-188acd9a1028", "name": "POLYGLYCERYL-2 DIISOSTEARATE", "stdName": "POLYGLYCERYL-2 DIISOSTEARATE", "type": "of", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9", "cefde408-33bb-4e52-9834-864c24c6a9ed", "c4e43ad4-4b77-4484-8e7a-b1642232944e" ], "display_name": true, "domains": [ "cosmetic" ], "name_orgs": [ { "uuid": "0c50abde-0262-4d49-b9dd-d8a0a709eeda", "name_org": "INCI" } ] }, { "uuid": "25ed585c-849b-4b8a-988c-9435cd9ec006", "name": "RISOREX PGIS22", "stdName": "RISOREX PGIS22", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "2172aa57-4644-4f69-96b2-6ed7a33d8961", "name": "S-FACE IS-202 P", "stdName": "S-FACE IS-202 P", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "9cdc1384-e067-44e4-89ad-946ca3de926c", "name": "SALACOS 42V", "stdName": "SALACOS 42V", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false }, { "uuid": "a0e7ac16-8166-4c7f-a0c6-08a8627b79c6", "name": "SUNSOFT Q-192B", "stdName": "SUNSOFT Q-192B", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "377360e7-6a2a-4592-9288-b1d5359859ca", "b81e7292-1e86-4184-8683-1c0fcd6105a9" ], "display_name": false } ], "references": [ { "uuid": "377360e7-6a2a-4592-9288-b1d5359859ca", "citation": "PCPC-DB", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "c4e43ad4-4b77-4484-8e7a-b1642232944e", "citation": "CTFA DL", "doc_type": "PERSONAL CARE PRODUCTS COUNCIL", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "097ae429-adbc-4df3-a598-ef2751b69737", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "b81e7292-1e86-4184-8683-1c0fcd6105a9", "citation": "PERSONAL CARE PRODUCTS COUNCIL", "doc_type": "PERSONAL CARE PRODUCTS COUNCIL", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "e1ede5c2-1432-464c-8940-262c17c5bfdf", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391761000, "tags": [ "NOMEN" ] }, { "uuid": "c20b894c-7126-431b-91e7-aafa02faed3f", "citation": "SRS import [DG195GP57P]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=DG195GP57P", "doc_type": "SRS", "public_domain": true, "document_date": 1493391761000, "tags": [ "NOMEN" ] }, { "uuid": "278fd853-3875-4278-ab45-18b2613e4406", "citation": "FDA_SRS", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "cefde408-33bb-4e52-9834-864c24c6a9ed", "citation": "POLYGLYCERYL-2 DIISOSTEARATE [INCI]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "37e80454-9485-4850-a0fe-6052b7ba2f1e", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "89ec7ba7-8307-455c-b93f-45f2e11295ee", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "cbc45c6b-757e-4d4d-ca68-3b14ad38fbe9", "citation": "DailyMed", "doc_type": "DAILYMED", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "251d2310-e3b5-4e5b-bb2e-918f297a8f03", "id": "251d2310-e3b5-4e5b-bb2e-918f297a8f03", "molfile": "\n Marvin 01132102042D \n\n 49 48 0 0 0 0 999 V2000\n 0.6840 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6840 0.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0305 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3985 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3985 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1130 -1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1130 -2.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8275 -2.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8275 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5420 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2565 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9709 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6854 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3999 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1143 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8288 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5432 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2577 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2577 -4.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9722 -3.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6867 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4011 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 11.4011 -2.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1156 -3.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8301 -3.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5446 -3.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2591 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 14.2591 -2.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9735 -3.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6880 -3.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4025 -3.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1169 -3.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4025 -4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1169 -5.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1169 -5.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8314 -6.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8314 -7.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5459 -7.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5459 -8.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2603 -8.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2603 -9.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5459 -10.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5459 -10.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8314 -11.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8314 -12.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1169 -12.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1169 -13.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8314 -13.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4025 -13.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 2 3 1 0 0 0 0\n 4 2 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 18 19 2 0 0 0 0\n 18 20 1 0 0 0 0\n 21 20 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 27 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 31 30 1 0 0 0 0\n 31 32 2 0 0 0 0\n 31 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 47 49 1 0 0 0 0\nM END", "smiles": "CC(C)CCCCCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCCCCCC(C)C)O)O", "formula": "C42H82O7", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "d8ec92fc-a1f1-4cb7-8acb-841e3a38fea9" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "699.0979", "optical_activity": "UNSPECIFIED", "stereo_centers": 2 } ], "definition_level": "REPRESENTATIVE", "uuid": "89339432-ca0d-4904-9a53-2b83cb6ee5a7", "version": "6", "structure": { "id": "441a93e1-10d2-4d39-b1c8-7c743ec5bec6", "molfile": "\n Marvin 01132103352D \n\n 49 48 0 0 0 0 999 V2000\n 17.1169 -3.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4025 -3.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6880 -3.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9735 -3.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2591 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2591 -2.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5446 -3.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8301 -3.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1156 -3.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4011 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4011 -2.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6867 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9722 -3.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2577 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2577 -4.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5432 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8288 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1143 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3999 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6854 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9709 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2565 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5420 -3.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8275 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8275 -2.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1130 -2.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1130 -1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3985 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3985 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6840 0.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6840 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0305 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4025 -4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1169 -5.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1169 -5.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8314 -6.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8314 -7.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5459 -7.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5459 -8.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2603 -8.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2603 -9.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5459 -10.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5459 -10.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8314 -11.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8314 -12.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1169 -12.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1169 -13.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8314 -13.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4025 -13.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 2 0 0 0 0\n 2 3 1 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 5 6 1 0 0 0 0\n 7 5 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 10 11 1 0 0 0 0\n 12 10 1 0 0 0 0\n 12 13 1 0 0 0 0\n 14 13 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 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 30 32 1 0 0 0 0\n 2 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 47 49 1 0 0 0 0\nM END", "smiles": "CC(C)CCCCCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCCCCCC(C)C)O)O", "formula": "C42H82O7", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "699.0979", "optical_activity": "UNSPECIFIED", "references": [ "c20b894c-7126-431b-91e7-aafa02faed3f", "278fd853-3875-4278-ab45-18b2613e4406" ], "stereo_centers": 2 }, "unii": "DG195GP57P" } ] }