{ "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": "d297789d-1f77-4933-bde4-535ac57b5212", "code": "2540-54-7", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=2540-54-7", "code_system": "CAS", "references": [ "8e3f351c-cc98-4b23-a2b0-4f4351df5229", "4794cf88-8190-4b53-bbb9-37d245f9da9d" ] }, { "uuid": "ce5e057d-c91b-4d4b-97c8-abb93bf7c16d", "code": "219-817-0", "type": "PRIMARY", "url": "https://echa.europa.eu/substance-information/-/substanceinfo/100.018.016", "code_system": "ECHA (EC/EINECS)", "references": [ "8e3f351c-cc98-4b23-a2b0-4f4351df5229" ] }, { "uuid": "4333e10a-3e90-432b-a635-07239be2ab2f", "code": "11764524", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/11764524", "code_system": "PUBCHEM", "references": [ "8e3f351c-cc98-4b23-a2b0-4f4351df5229" ] }, { "uuid": "072ea7b4-b22f-558b-4666-742f2ed14694", "code": "DTXSID2051926", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID2051926", "code_system": "EPA CompTox", "references": [ "5d7a3360-5bc1-6b4a-c41d-d2f045e72e7c" ] }, { "uuid": "161bf21a-2767-d7b9-08cf-2ddc96b4f8ac", "code": "140471", "type": "PRIMARY", "url": "https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:140471", "code_system": "CHEBI", "references": [ "66d4b2b0-c428-693c-73d1-8447571e97f3" ] }, { "uuid": "a0df2633-9cca-4b53-aa65-ff1c21bb55cd", "code": "NZ59BAU9ZN", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "4a703a84-87aa-c7c6-8494-292519c945d2", "code": "Ricinolein", "type": "PRIMARY", "url": "https://en.wikipedia.org/wiki/Ricinolein", "code_system": "WIKIPEDIA", "references": [ "d2303006-f1d0-60a0-75a6-9d1e39889b4e" ] }, { "uuid": "ed348a5c-1fda-cc11-746c-b21a3eb18124", "code": "93749", "type": "PRIMARY", "url": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=93749", "code_system": "NSC", "references": [ "806291cd-8f17-2b77-7486-1d0992eec2ec" ] }, { "uuid": "29550e27-0711-5de8-96e5-aa79d0aead2c", "code": "300000031011", "type": "PRIMARY", "code_system": "SMS_ID", "references": [ "a16b833f-0ae9-61a6-81b4-238ab4013ee0" ] } ], "substance_class": "chemical", "names": [ { "uuid": "8fe1f54e-2b56-475a-9744-e37603658b5f", "name": "1,2,3-PROPANETRIOL TRI(12-HYDROXY-9-OCTADECENOATE)", "stdName": "1,2,3-PROPANETRIOL TRI(12-HYDROXY-9-OCTADECENOATE)", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "5a43d2ef-4ae4-4769-87d3-255f9ff9c449" ], "display_name": false }, { "uuid": "af18d26f-d006-4df6-bc10-dc0a5e3f973c", "name": "1,2,3-TRIS(((9Z,12R)-12-HYDROXY-9-OCTADECENOYL)OXY)PROPANE", "stdName": "1,2,3-TRIS(((9Z,12R)-12-HYDROXY-9-OCTADECENOYL)OXY)PROPANE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "77db33e8-5a0e-457a-8d4d-f37e20b0af37" ], "display_name": false }, { "uuid": "ef9785cd-bf51-4473-b8f7-7a271bf41ce7", "name": "12-HYDROXY-9-OCTADECENOIC ACID, 1,2,3-PROPANETRIYL ESTER", "stdName": "12-HYDROXY-9-OCTADECENOIC ACID, 1,2,3-PROPANETRIYL ESTER", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "5a43d2ef-4ae4-4769-87d3-255f9ff9c449" ], "display_name": false }, { "uuid": "d8c7081f-dc48-4c23-a229-856788e2dda0", "name": "9-OCTADECENOIC ACID, 12-HYDROXY-, (R-(Z))-, 1,2,3- PROPANETRIYL ESTER", "stdName": "9-OCTADECENOIC ACID, 12-HYDROXY-, (R-(Z))-, 1,2,3- PROPANETRIYL ESTER", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "5a43d2ef-4ae4-4769-87d3-255f9ff9c449" ], "display_name": false }, { "uuid": "87137e61-b166-4244-9cb2-c68c83b456e6", "name": "9-OCTADECENOIC ACID, 12-HYDROXY-, 1,1',1''-(1,2,3-PROPANETRIYL) ESTER, (9Z,9'Z,9''Z,12R,12'R,12''R)-", "stdName": "9-OCTADECENOIC ACID, 12-HYDROXY-, 1,1',1''-(1,2,3-PROPANETRIYL) ESTER, (9Z,9'Z,9''Z,12R,12'R,12''R)-", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "77db33e8-5a0e-457a-8d4d-f37e20b0af37" ], "display_name": false }, { "uuid": "df99a942-7791-4a95-a32a-e0433740aaf7", "name": "9-OCTADECENOIC ACID, 12-HYDROXY-, 1,2,3-PROPANETRIYL ESTER", "stdName": "9-OCTADECENOIC ACID, 12-HYDROXY-, 1,2,3-PROPANETRIYL ESTER", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "5a43d2ef-4ae4-4769-87d3-255f9ff9c449" ], "display_name": false }, { "uuid": "2b354e87-c8a8-47d4-bc7e-f8302f62f692", "name": "GEOPON GO 13", "stdName": "GEOPON GO 13", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "77db33e8-5a0e-457a-8d4d-f37e20b0af37" ], "display_name": false }, { "uuid": "8181f319-e616-411f-b718-ce45ca0bd749", "name": "GLYCEROL TRIRICINOLEATE", "stdName": "GLYCEROL TRIRICINOLEATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "81adb45f-81a7-4bdc-8fba-d1cb0153b37b" ], "display_name": false }, { "uuid": "c3ce7975-7029-43fd-963d-356c68b9c5dc", "name": "GLYCERYL TRIRICINOLEATE", "stdName": "GLYCERYL TRIRICINOLEATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "5a43d2ef-4ae4-4769-87d3-255f9ff9c449" ], "display_name": true }, { "uuid": "bdaac9a4-e6e6-45e1-92a0-5cf83bb33905", "name": "NSC-93749", "stdName": "NSC-93749", "type": "cd", "languages": [ "en" ], "preferred": false, "references": [ "77db33e8-5a0e-457a-8d4d-f37e20b0af37" ], "display_name": false }, { "uuid": "8b541871-2329-4876-94ff-ab10e6082bef", "name": "PROPANE-1,2,3-TRIYL TRIS(12-HYDROXYOCTADEC-9-ENOATE), STEREOISOMER", "stdName": "PROPANE-1,2,3-TRIYL TRIS(12-HYDROXYOCTADEC-9-ENOATE), STEREOISOMER", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "5a43d2ef-4ae4-4769-87d3-255f9ff9c449" ], "display_name": false }, { "uuid": "c2703051-c921-404f-bcdc-e33b15f53aac", "name": "RICINOLEIC ACID TRIGLYCERIDE", "stdName": "RICINOLEIC ACID TRIGLYCERIDE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "77db33e8-5a0e-457a-8d4d-f37e20b0af37" ], "display_name": false }, { "uuid": "f623df53-6748-43fb-8d8f-596ea3dc2cff", "name": "TRIRICINOLEIN", "stdName": "TRIRICINOLEIN", "type": "of", "languages": [ "en" ], "preferred": true, "references": [ "de3389d1-de2b-467b-adc9-3786cb64cf40", "db408205-8ec6-4936-a4f0-2ca9a0cb1ee2", "5a43d2ef-4ae4-4769-87d3-255f9ff9c449" ], "display_name": false, "domains": [ "cosmetic" ], "name_orgs": [ { "uuid": "9498fbba-864c-4d9a-a01a-6935ec612568", "name_org": "INCI" } ] } ], "references": [ { "uuid": "81adb45f-81a7-4bdc-8fba-d1cb0153b37b", "citation": "CEDI", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "5a43d2ef-4ae4-4769-87d3-255f9ff9c449", "citation": "CHEMID", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "77db33e8-5a0e-457a-8d4d-f37e20b0af37", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "db408205-8ec6-4936-a4f0-2ca9a0cb1ee2", "citation": "PCPC", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "8e3f351c-cc98-4b23-a2b0-4f4351df5229", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493390326000, "tags": [ "NOMEN" ] }, { "uuid": "96a0fff4-e48c-4fd1-9c24-38d49e850903", "citation": "SRS import [NZ59BAU9ZN]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=NZ59BAU9ZN", "doc_type": "SRS", "public_domain": true, "document_date": 1493390326000, "tags": [ "NOMEN" ] }, { "uuid": "de3389d1-de2b-467b-adc9-3786cb64cf40", "citation": "TRIRICINOLEIN [INCI]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "5d7a3360-5bc1-6b4a-c41d-d2f045e72e7c", "citation": "WEBSITE", "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=2540-54-7", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "d2303006-f1d0-60a0-75a6-9d1e39889b4e", "citation": "WIKI", "doc_type": "WIKI", "public_domain": true }, { "uuid": "4794cf88-8190-4b53-bbb9-37d245f9da9d", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "66d4b2b0-c428-693c-73d1-8447571e97f3", "doc_type": "SYSTEM", "public_domain": true }, { "uuid": "806291cd-8f17-2b77-7486-1d0992eec2ec", "citation": "NCI", "doc_type": "NCI DRUG DICTIONARY", "public_domain": true }, { "uuid": "a16b833f-0ae9-61a6-81b4-238ab4013ee0", "citation": "EU-SRS", "doc_type": "EMA LIST", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "246001f6-3bec-4521-b6b4-cad40edf1bf5", "id": "246001f6-3bec-4521-b6b4-cad40edf1bf5", "molfile": "\n Marvin 01132102022D \n\n 66 65 0 0 1 0 999 V2000\n 24.8005 -7.1870 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 24.8005 -6.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5149 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.2294 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.9439 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.6583 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.3728 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.0873 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.0860 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.0860 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.3715 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.6571 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.9426 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2281 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5137 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7992 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0847 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3702 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6558 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6558 -9.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9413 -8.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2268 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5123 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7979 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0834 -8.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3689 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3689 -9.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6545 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9400 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2255 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5111 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5111 -9.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -10.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -10.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0821 -11.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0821 -12.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -12.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -13.3745 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 10.5111 -13.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0821 -13.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0821 -14.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3677 -15.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3677 -15.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6532 -16.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6532 -17.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5123 -7.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7979 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7979 -6.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0834 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3689 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6545 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9400 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2255 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5111 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0821 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3677 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3677 -7.5995 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 9.0821 -7.1870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6532 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6532 -6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9387 -5.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9387 -5.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2243 -4.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2243 -3.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 6 0 0 0\n 1 3 1 0 0 0 0\n 1 9 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 10 9 1 0 0 0 0\n 11 10 2 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 19 20 2 0 0 0 0\n 19 21 1 0 0 0 0\n 22 21 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 23 46 1 0 0 0 0\n 24 25 1 0 0 0 0\n 26 25 1 0 0 0 0\n 26 27 2 0 0 0 0\n 26 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 2 0 0 0 0\n 36 37 1 0 0 0 0\n 38 37 1 0 0 0 0\n 38 39 1 6 0 0 0\n 38 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 47 46 1 0 0 0 0\n 47 48 2 0 0 0 0\n 47 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 2 0 0 0 0\n 57 58 1 0 0 0 0\n 58 59 1 0 0 0 0\n 59 60 1 1 0 0 0\n 59 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\nM END", "smiles": "CCCCCC[C@H](C/C=C\\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\C[C@@H](CCCCCC)O)OC(=O)CCCCCCC/C=C\\C[C@@H](CCCCCC)O)O", "formula": "C57H104O9", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "31d15dad-3c50-44f3-b589-b19a135efc1c" }, "defined_stereo": 3, "ez_centers": 3, "molecular_weight": "933.4324", "optical_activity": "UNSPECIFIED", "stereo_centers": 3 } ], "definition_level": "COMPLETE", "uuid": "fdd423bf-7d24-4e1b-a42a-d7c1804204c0", "version": "8", "structure": { "id": "b9d48554-5c91-42ab-ac17-18bd85588f60", "molfile": "\n Marvin 01132109372D \n\n 66 65 0 0 1 0 999 V2000\n 16.2268 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9413 -8.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6558 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6558 -9.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3702 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0847 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7992 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5137 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2281 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.9426 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.6571 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.3715 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.0860 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.0860 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.8005 -7.1870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 24.8005 -6.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5149 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.2294 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.9439 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.6583 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.3728 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.0873 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5123 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5123 -7.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7979 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7979 -6.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0834 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3689 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6545 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9400 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2255 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5111 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -7.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0821 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3677 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3677 -7.5995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 9.0821 -7.1870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6532 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6532 -6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9387 -5.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9387 -5.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2243 -4.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2243 -3.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7979 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0834 -8.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3689 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3689 -9.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6545 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9400 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2255 -8.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5111 -8.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5111 -9.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -10.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -10.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0821 -11.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0821 -12.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -12.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7966 -13.3745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 10.5111 -13.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0821 -13.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0821 -14.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3677 -15.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3677 -15.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6532 -16.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6532 -17.0870 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 3 4 2 0 0 0 0\n 3 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 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 6 0 0 0\n 15 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 1 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 25 24 1 0 0 0 0\n 25 26 2 0 0 0 0\n 25 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 2 0 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 38 1 1 0 0 0\n 37 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 23 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 47 46 1 0 0 0 0\n 47 48 2 0 0 0 0\n 47 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 2 0 0 0 0\n 57 58 1 0 0 0 0\n 58 59 1 0 0 0 0\n 59 60 1 6 0 0 0\n 59 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\nM END", "smiles": "CCCCCC[C@H](C/C=C\\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\C[C@@H](CCCCCC)O)OC(=O)CCCCCCC/C=C\\C[C@@H](CCCCCC)O)O", "formula": "C57H104O9", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 3, "ez_centers": 3, "molecular_weight": "933.4324", "optical_activity": "UNSPECIFIED", "references": [ "96a0fff4-e48c-4fd1-9c24-38d49e850903", "5a43d2ef-4ae4-4769-87d3-255f9ff9c449" ], "stereo_centers": 3 }, "unii": "NZ59BAU9ZN" } ] }