{ "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": "513b60ca-330b-4742-a5a6-6de4d3689b21", "code": "185458-78-0", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=185458-78-0", "code_system": "CAS", "references": [ "2b64fb96-6472-437d-a49b-dab2ce4b66ea", "db20b17a-36ea-4437-88d6-2d38cfe75fb6" ] }, { "uuid": "c9e0ec50-3f96-4223-8641-0e36411f6b1e", "code": "71587599", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/71587599", "code_system": "PUBCHEM", "references": [ "2b64fb96-6472-437d-a49b-dab2ce4b66ea" ] }, { "uuid": "e89484f4-eb5c-44a1-bf68-4882998598b6", "code": "VM0VWQ9LZR", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "e83d1eb7-e2f2-e311-3dc7-24576324c0b4", "code": "DTXSID90939971", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID90939971", "code_system": "EPA CompTox" } ], "substance_class": "chemical", "names": [ { "uuid": "69bca205-fb03-4eb4-8119-5e8b1dbd309d", "name": "(±)-DIDECYLTETRADECYL IPDI", "stdName": "(+/-)-DIDECYLTETRADECYL IPDI", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a4281b95-d337-474c-a41a-5ffe53b27c9c", "d1b0b1aa-e0b0-4e9c-a2ae-4ad4763d9ace" ], "display_name": false }, { "uuid": "04686db0-6585-4b0a-81e4-16dd807ee06a", "name": "CARBAMIC ACID, (3-((((2-DECYLTETRADECYL)OXY)CARBONYL)AMINO)METHYL)-3,5,5-TRIMETHYLCYCLOHEXYL)-, 2-DECYL TETRADECYL", "stdName": "CARBAMIC ACID, (3-((((2-DECYLTETRADECYL)OXY)CARBONYL)AMINO)METHYL)-3,5,5-TRIMETHYLCYCLOHEXYL)-, 2-DECYL TETRADECYL", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "29da65a5-b74c-418a-bca8-3ff10abfb89e", "d1b0b1aa-e0b0-4e9c-a2ae-4ad4763d9ace" ], "display_name": false }, { "uuid": "eb73fa54-0ccd-493b-9a28-53396ce1e4ec", "name": "DIDECYLTETRADECYL IPDI", "stdName": "DIDECYLTETRADECYL IPDI", "type": "of", "languages": [ "en" ], "preferred": true, "references": [ "d7574dd8-be35-4b34-aba6-86266277b487", "29da65a5-b74c-418a-bca8-3ff10abfb89e", "d1b0b1aa-e0b0-4e9c-a2ae-4ad4763d9ace" ], "display_name": false, "domains": [ "cosmetic" ], "name_orgs": [ { "uuid": "aabc4ee3-f073-4d8c-9398-bd39e6c25edb", "name_org": "INCI" } ] }, { "uuid": "6618c79f-1299-4655-84f0-0719d16de2d6", "name": "DIDECYLTETRADECYL IPDI, (±)-", "stdName": "DIDECYLTETRADECYL IPDI, (+/-)-", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a4281b95-d337-474c-a41a-5ffe53b27c9c", "d1b0b1aa-e0b0-4e9c-a2ae-4ad4763d9ace" ], "display_name": false }, { "uuid": "2d6d6369-4674-4243-9293-2560ea33d0e1", "name": "DIDECYLTETRADECYL ISOPHORONE DIISOCYANATE", "stdName": "DIDECYLTETRADECYL ISOPHORONE DIISOCYANATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "85c43aba-1921-47fe-95cc-864ed53a7bb3", "d1b0b1aa-e0b0-4e9c-a2ae-4ad4763d9ace" ], "display_name": true }, { "uuid": "d9d659ee-b63f-467f-bef8-b79a8c05a92d", "name": "MONODERM I-24", "stdName": "MONODERM I-24", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "29da65a5-b74c-418a-bca8-3ff10abfb89e", "d1b0b1aa-e0b0-4e9c-a2ae-4ad4763d9ace" ], "display_name": false } ], "references": [ { "uuid": "d1b0b1aa-e0b0-4e9c-a2ae-4ad4763d9ace", "citation": "PERSONAL CARE PRODUCTS COUNCIL", "doc_type": "PERSONAL CARE PRODUCTS COUNCIL", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "a4281b95-d337-474c-a41a-5ffe53b27c9c", "citation": "FDA_SRS", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "85c43aba-1921-47fe-95cc-864ed53a7bb3", "citation": "PCPC", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "2b64fb96-6472-437d-a49b-dab2ce4b66ea", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391634000, "tags": [ "NOMEN" ] }, { "uuid": "d53f2b63-c6d4-4661-b116-0e9037e92464", "citation": "SRS import [VM0VWQ9LZR]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=VM0VWQ9LZR", "doc_type": "SRS", "public_domain": true, "document_date": 1493391634000, "tags": [ "NOMEN" ] }, { "uuid": "bcbded41-dcd1-42e9-950f-0a605b00c92c", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "d7574dd8-be35-4b34-aba6-86266277b487", "citation": "DIDECYLTETRADECYL IPDI [INCI]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "29da65a5-b74c-418a-bca8-3ff10abfb89e", "citation": "PCPC-DB", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "db20b17a-36ea-4437-88d6-2d38cfe75fb6", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "e258c14a-defb-4eb1-9c4b-f59895fe7e5b", "id": "e258c14a-defb-4eb1-9c4b-f59895fe7e5b", "molfile": "\n Marvin 01132111432D \n\n 66 66 0 0 0 0 999 V2000\n 4.8959 -22.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6928 -21.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9064 -21.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7032 -20.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9167 -20.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7417 -20.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1543 -19.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9792 -19.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3917 -18.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2167 -18.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6292 -17.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4542 -17.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8668 -17.1521 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 11.4542 -16.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6292 -16.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2167 -15.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3917 -15.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9792 -15.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1543 -15.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7417 -14.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9167 -14.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5043 -13.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6793 -13.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6918 -17.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1042 -17.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9292 -17.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3418 -17.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3418 -18.5810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9292 -19.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3418 -20.0099 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 13.5665 -20.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9738 -19.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7489 -19.7618 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 15.8922 -20.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2603 -21.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8922 -21.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8477 -21.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4850 -20.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3809 -19.2315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1562 -19.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2995 -20.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7882 -18.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5634 -19.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1954 -18.7352 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 19.9707 -19.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6027 -18.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.3779 -18.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0099 -18.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.7851 -18.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.4171 -17.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.1923 -18.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.8243 -17.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5995 -18.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.2315 -17.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0521 -17.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2769 -17.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1336 -16.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3584 -16.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2152 -15.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4399 -15.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2966 -14.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5214 -14.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3078 -13.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5109 -13.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2974 -12.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5006 -12.3359 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 8 9 1 0 0 0 0\n 9 10 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 13 14 1 0 0 0 0\n 24 13 1 0 0 0 0\n 15 14 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 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 25 24 1 0 0 0 0\n 26 25 1 0 0 0 0\n 26 27 2 0 0 0 0\n 28 26 1 0 0 0 0\n 29 28 1 0 0 0 0\n 30 29 1 0 0 0 0\n 30 31 1 0 0 0 0\n 30 32 1 0 0 0 0\n 38 30 1 0 0 0 0\n 33 32 1 0 0 0 0\n 33 34 1 0 0 0 0\n 33 39 1 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 35 37 1 0 0 0 0\n 35 38 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 2 0 0 0 0\n 40 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 44 55 1 0 0 0 0\n 46 45 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 50 49 1 0 0 0 0\n 51 50 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 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 58 57 1 0 0 0 0\n 59 58 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\nM END", "smiles": "CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC", "formula": "C60H118N2O4", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "3035ef8f-319e-4de5-9234-58eb680f5177" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "931.5922", "optical_activity": "UNSPECIFIED", "stereo_centers": 4 } ], "definition_level": "COMPLETE", "uuid": "21cb0764-8717-45f0-be8b-ff1597a651bd", "version": "4", "structure": { "id": "69682d30-2be7-4169-bbb1-26906258378b", "molfile": "\n Marvin 01132105292D \n\n 66 66 0 0 0 0 999 V2000\n 10.6292 -16.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2167 -15.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3917 -15.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4542 -16.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8668 -17.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6918 -17.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1042 -17.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9292 -17.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3418 -17.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3418 -18.5810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9292 -19.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3418 -20.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5665 -20.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4850 -20.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2603 -21.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8922 -21.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8477 -21.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8922 -20.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7489 -19.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3809 -19.2315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1562 -19.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7882 -18.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5634 -19.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1954 -18.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9707 -19.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6027 -18.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.3779 -18.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0099 -18.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9738 -19.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4542 -17.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6292 -17.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2995 -20.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0521 -17.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2769 -17.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.1923 -18.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.8243 -17.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.4171 -17.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.7851 -18.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7417 -14.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9167 -14.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1543 -15.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9792 -15.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2152 -15.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4399 -15.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3584 -16.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1336 -16.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9792 -19.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1543 -19.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3917 -18.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2167 -18.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7417 -20.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9167 -20.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2966 -14.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5214 -14.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3078 -13.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5109 -13.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2974 -12.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5006 -12.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7032 -20.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9064 -21.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6928 -21.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8959 -22.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5043 -13.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6793 -13.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5995 -18.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.2315 -17.4946 0.0000 C 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 1 4 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 8 9 2 0 0 0 0\n 10 8 1 0 0 0 0\n 11 10 1 0 0 0 0\n 12 11 1 0 0 0 0\n 12 13 1 0 0 0 0\n 14 12 1 0 0 0 0\n 15 14 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 17 1 0 0 0 0\n 18 15 1 0 0 0 0\n 19 18 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 26 25 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 19 29 1 0 0 0 0\n 12 29 1 0 0 0 0\n 5 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 21 32 2 0 0 0 0\n 24 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 35 36 1 0 0 0 0\n 35 37 1 0 0 0 0\n 37 38 1 0 0 0 0\n 28 38 1 0 0 0 0\n 39 40 1 0 0 0 0\n 39 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 3 42 1 0 0 0 0\n 43 44 1 0 0 0 0\n 43 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 34 46 1 0 0 0 0\n 47 48 1 0 0 0 0\n 47 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 31 50 1 0 0 0 0\n 51 52 1 0 0 0 0\n 48 51 1 0 0 0 0\n 53 54 1 0 0 0 0\n 44 53 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 52 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 40 63 1 0 0 0 0\n 63 64 1 0 0 0 0\n 36 65 1 0 0 0 0\n 65 66 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC", "formula": "C60H118N2O4", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "931.5922", "optical_activity": "UNSPECIFIED", "references": [ "bcbded41-dcd1-42e9-950f-0a605b00c92c", "d53f2b63-c6d4-4661-b116-0e9037e92464" ], "stereo_centers": 4 }, "unii": "VM0VWQ9LZR" } ] }