{
  "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": "fcb8779a-b8d3-4f2a-aadb-1eda42d011ce",
          "code": "93385-14-9",
          "type": "PRIMARY",
          "url": "https://commonchemistry.cas.org/detail?cas_rn=93385-14-9",
          "code_system": "CAS",
          "references": [
            "3f7d8a95-cfd8-4cb1-95ad-ef3db8fc369e",
            "0ce889e6-9da8-4f19-8a71-536816ba4ace"
          ]
        },
        {
          "uuid": "e119c92b-b335-435b-bf83-eef0688816d8",
          "code": "1601596",
          "comments": "RxNorm",
          "type": "PRIMARY",
          "url": "https://rxnav.nlm.nih.gov/REST/rxcui/1601596/allProperties.xml?prop=all",
          "code_system": "RXCUI",
          "references": [
            "3f7d8a95-cfd8-4cb1-95ad-ef3db8fc369e"
          ]
        },
        {
          "uuid": "42d77d72-2b16-4ff6-abe6-098b19440930",
          "code": "9876029",
          "type": "PRIMARY",
          "url": "https://pubchem.ncbi.nlm.nih.gov/compound/9876029",
          "code_system": "PUBCHEM",
          "references": [
            "3f7d8a95-cfd8-4cb1-95ad-ef3db8fc369e"
          ]
        },
        {
          "uuid": "8c91f397-65c2-411c-a0f2-66098ff6e583",
          "code": "0ZRR29B77H",
          "type": "PRIMARY",
          "code_system": "FDA UNII"
        },
        {
          "uuid": "2f2a6722-0bdd-2ac4-801e-5bda1107d3aa",
          "code": "DTXSID901018285",
          "type": "PRIMARY",
          "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID901018285",
          "code_system": "EPA CompTox"
        }
      ],
      "substance_class": "chemical",
      "names": [
        {
          "uuid": "de5a6713-822a-410b-b680-3d43916d0a4a",
          "name": "1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, 1,2,3-TRIISOHEXADECYL ESTER",
          "stdName": "1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, 1,2,3-TRIISOHEXADECYL ESTER",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "d9dcbbca-4aa7-41bb-8eed-8cad09461ae5",
            "a7f30446-5354-490b-a7e1-e4885e00a9b7"
          ],
          "display_name": false
        },
        {
          "uuid": "705c1d9e-d6cc-4988-a6b9-07d8335866c8",
          "name": "1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, TRIISOHEXADECYL ESTER",
          "stdName": "1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, TRIISOHEXADECYL ESTER",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "63f79b36-88f3-474e-a986-7b36f25b041e",
            "a7f30446-5354-490b-a7e1-e4885e00a9b7"
          ],
          "display_name": false
        },
        {
          "uuid": "a5c5fcb9-5060-4a1c-a826-abaaa66a6945",
          "name": "CITMOL 316",
          "stdName": "CITMOL 316",
          "type": "bn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "63f79b36-88f3-474e-a986-7b36f25b041e",
            "a7f30446-5354-490b-a7e1-e4885e00a9b7"
          ],
          "display_name": false
        },
        {
          "uuid": "6b2f2485-4658-422d-838c-05d4c8f64ad6",
          "name": "JEECHEM TISC",
          "stdName": "JEECHEM TISC",
          "type": "bn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "63f79b36-88f3-474e-a986-7b36f25b041e",
            "a7f30446-5354-490b-a7e1-e4885e00a9b7"
          ],
          "display_name": false
        },
        {
          "uuid": "e61d6d84-c7fe-4277-8151-77e522364c2d",
          "name": "TRIISOCETYL CITRATE",
          "stdName": "TRIISOCETYL CITRATE",
          "type": "of",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "63f79b36-88f3-474e-a986-7b36f25b041e",
            "a7f30446-5354-490b-a7e1-e4885e00a9b7",
            "e038885e-256b-4b88-b584-adcdff7d6706",
            "aacb86db-724c-46f9-a685-fc3d1c9c0139"
          ],
          "display_name": true,
          "domains": [
            "cosmetic"
          ],
          "name_orgs": [
            {
              "uuid": "e58070c9-088a-46f6-a383-1017bdf95fe8",
              "name_org": "INCI"
            }
          ]
        },
        {
          "uuid": "2b3e6453-f837-45ec-a56c-650feb1b2d4c",
          "name": "TRIISOHEXADECYL CITRATE",
          "stdName": "TRIISOHEXADECYL CITRATE",
          "type": "sys",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "63f79b36-88f3-474e-a986-7b36f25b041e",
            "a7f30446-5354-490b-a7e1-e4885e00a9b7"
          ],
          "display_name": false
        }
      ],
      "references": [
        {
          "uuid": "63f79b36-88f3-474e-a986-7b36f25b041e",
          "citation": "PCPC-DB",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN",
            "PUBLIC_DOMAIN_RELEASE",
            "AUTO_SELECTED"
          ]
        },
        {
          "uuid": "aacb86db-724c-46f9-a685-fc3d1c9c0139",
          "citation": "DL",
          "doc_type": "PERSONAL CARE PRODUCTS COUNCIL",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "a7f30446-5354-490b-a7e1-e4885e00a9b7",
          "citation": "PERSONAL CARE PRODUCTS COUNCIL",
          "doc_type": "PERSONAL CARE PRODUCTS COUNCIL",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "d9dcbbca-4aa7-41bb-8eed-8cad09461ae5",
          "citation": "STN",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "3f7d8a95-cfd8-4cb1-95ad-ef3db8fc369e",
          "citation": "SRS CODE IMPORT",
          "doc_type": "SRS",
          "public_domain": true,
          "document_date": 1493391621000,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "4a9419b3-f212-4e67-b8f1-6f90ade6faa2",
          "citation": "SRS import [0ZRR29B77H]",
          "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=0ZRR29B77H",
          "doc_type": "SRS",
          "public_domain": true,
          "document_date": 1493391621000,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "e038885e-256b-4b88-b584-adcdff7d6706",
          "citation": "TRIISOCETYL CITRATE [INCI]",
          "doc_type": "SRS_LOCATOR",
          "public_domain": true
        },
        {
          "uuid": "0ce889e6-9da8-4f19-8a71-536816ba4ace",
          "citation": "STN",
          "doc_type": "STN (SCIFINDER)",
          "public_domain": true
        },
        {
          "uuid": "f1a114cf-8b63-0656-f518-a5f7212b77f2",
          "citation": "DailyMed",
          "doc_type": "DAILYMED",
          "public_domain": true
        }
      ],
      "definition_type": "PRIMARY",
      "moieties": [
        {
          "uuid": "73bf8881-7ee4-47fa-84af-dd87cbae73ff",
          "id": "73bf8881-7ee4-47fa-84af-dd87cbae73ff",
          "molfile": "\n  Marvin  01132106002D          \n\n 61 60  0  0  0  0            999 V2000\n   14.3785  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6638  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6638  -21.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9492  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2346  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5200  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8054  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0908  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3761  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6615  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9469  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2323  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5177  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8031  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0884  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3738  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6592  -20.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9445  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9445  -18.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2299  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5428  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5428  -20.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8282  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1136  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1136  -18.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6011  -20.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3157  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0303  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7449  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4595  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1741  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8888  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6034  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.2850  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.9997  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.7143  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.4289  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.1435  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.8581  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -10.5727  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -11.2874  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -10.5727  -21.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5428  -18.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8282  -18.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2299  -18.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2299  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9445  -17.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9445  -16.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6592  -16.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6592  -15.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3738  -14.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3738  -13.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0884  -13.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0884  -12.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8031  -12.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8031  -11.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5177  -11.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5177  -10.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2323   -9.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2323   -9.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9464  -10.3219    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 20 18  1  0  0  0  0\n 21 20  1  0  0  0  0\n 21 22  1  0  0  0  0\n 23 21  1  0  0  0  0\n 21 43  1  0  0  0  0\n 24 23  1  0  0  0  0\n 24 25  2  0  0  0  0\n 24 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 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 40 42  1  0  0  0  0\n 43 44  2  0  0  0  0\n 43 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 59 61  1  0  0  0  0\nM  END",
          "smiles": "CC(C)CCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCC(C)C)(C(=O)OCCCCCCCCCCCCCC(C)C)O",
          "formula": "C54H104O7",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "48a111bd-f56d-467a-b661-bc1679af5527"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "865.4014",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "REPRESENTATIVE",
      "uuid": "7df9fae1-89db-4a53-b2c8-d56e11dcf3de",
      "version": "6",
      "structure": {
        "id": "cbbda0e7-2ef6-414f-be45-d2c8f4c67e74",
        "molfile": "\n  Marvin  01132110312D          \n\n 61 60  0  0  0  0            999 V2000\n    0.1136  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8282  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5428  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5428  -20.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5428  -18.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8282  -18.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2299  -18.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2299  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9445  -17.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9445  -16.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6592  -16.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6592  -15.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3738  -14.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3738  -13.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0884  -13.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0884  -12.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8031  -12.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8031  -11.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5177  -11.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5177  -10.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2323   -9.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2323   -9.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2299  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9445  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9445  -18.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6592  -20.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3738  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0884  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8031  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5177  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2323  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9469  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6615  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3761  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0908  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8054  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5200  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2346  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9492  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6638  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3785  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1136  -18.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6011  -20.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3157  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0303  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7449  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4595  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1741  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8888  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6034  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.2850  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.9997  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.7143  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.4289  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.1435  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.8581  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -10.5727  -20.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -11.2874  -19.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -10.5727  -21.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9464  -10.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6638  -21.0087    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  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5  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 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  3 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 24 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 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  1 42  2  0  0  0  0\n  1 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 57 59  1  0  0  0  0\n 21 60  1  0  0  0  0\n 40 61  1  0  0  0  0\nM  END",
        "smiles": "CC(C)CCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCC(C)C)(C(=O)OCCCCCCCCCCCCCC(C)C)O",
        "formula": "C54H104O7",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "865.4014",
        "optical_activity": "NONE",
        "references": [
          "d9dcbbca-4aa7-41bb-8eed-8cad09461ae5",
          "4a9419b3-f212-4e67-b8f1-6f90ade6faa2"
        ],
        "stereo_centers": 0
      },
      "unii": "0ZRR29B77H"
    }
  ]
}