{
  "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": "141ff094-c2d1-4ccb-9e09-a200ab1213a2",
          "code": "111030-96-7",
          "type": "PRIMARY",
          "url": "https://commonchemistry.cas.org/detail?cas_rn=111030-96-7",
          "code_system": "CAS",
          "references": [
            "7b676366-f6b7-4d2d-b38e-9f0488ece94d",
            "1dde0ad0-071d-44d0-9c5e-a83b016be12f"
          ]
        },
        {
          "uuid": "12e46027-e3d6-4c3b-a29d-7a8aff62ffb0",
          "code": "86278238",
          "type": "PRIMARY",
          "url": "https://pubchem.ncbi.nlm.nih.gov/compound/86278238",
          "code_system": "PUBCHEM",
          "references": [
            "7b676366-f6b7-4d2d-b38e-9f0488ece94d"
          ]
        },
        {
          "uuid": "10b22bbd-44a4-44af-839c-1d4f9c6adae9",
          "code": "AKH18GGW2E",
          "type": "PRIMARY",
          "code_system": "FDA UNII"
        },
        {
          "uuid": "ae652ae0-7639-9242-470b-22ccc32a1ce0",
          "code": "DTXSID201021227",
          "type": "PRIMARY",
          "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID201021227",
          "code_system": "EPA CompTox"
        }
      ],
      "substance_class": "chemical",
      "names": [
        {
          "uuid": "3280fd4f-e1af-452c-aa22-e0da36babd7e",
          "name": "1-PROPANAMINIUM, 2-HYDROXY-N-(2-((2-HYDROXYPROPYL)(2-((1-OXO-9-OCTADECEN-1-YL)OXY)PROPYL)AMINO)ETHYL)-N-METHYL-N-(2-((1-OXO-9-OCTADECEN-1-YL)OXY)PROPYL)-, METHYL SULFATE (1:1)",
          "stdName": "1-PROPANAMINIUM, 2-HYDROXY-N-(2-((2-HYDROXYPROPYL)(2-((1-OXO-9-OCTADECEN-1-YL)OXY)PROPYL)AMINO)ETHYL)-N-METHYL-N-(2-((1-OXO-9-OCTADECEN-1-YL)OXY)PROPYL)-, METHYL SULFATE (1:1)",
          "type": "sys",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3f6fa381-a713-4f43-af96-b232db36dffb"
          ],
          "display_name": false
        },
        {
          "uuid": "7e4b0634-978f-4351-bfd2-6044759ae66a",
          "name": "2-HYDROXY-N-(2-((2-HYDROXYPROPYL)(2-(OLEOYLOXY)PROPYL)AMINO)ETHYL)-N-METHYL-N-(2-(OLEOYLOXY)PROPYL)PROPAN-1-AMINIUM METHYL SULFATE",
          "stdName": "2-HYDROXY-N-(2-((2-HYDROXYPROPYL)(2-(OLEOYLOXY)PROPYL)AMINO)ETHYL)-N-METHYL-N-(2-(OLEOYLOXY)PROPYL)PROPAN-1-AMINIUM METHYL SULFATE",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3ffa159d-fd11-47be-a2e6-b4c5062aa04d"
          ],
          "display_name": false
        },
        {
          "uuid": "dbc1e9c3-ff06-4f24-8dc0-922b61f878d3",
          "name": "DIOLEOYL EDETOLMONIUM METHOSULFATE",
          "stdName": "DIOLEOYL EDETOLMONIUM METHOSULFATE",
          "type": "of",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "7a0163a3-ce39-4917-8d5a-e099590699d7",
            "e6d8c965-25db-4b5e-b846-740aeac784f6"
          ],
          "display_name": true,
          "domains": [
            "cosmetic"
          ],
          "name_orgs": [
            {
              "uuid": "4320a71c-2c37-498b-be40-93577de698e6",
              "name_org": "INCI"
            }
          ]
        }
      ],
      "references": [
        {
          "uuid": "3ffa159d-fd11-47be-a2e6-b4c5062aa04d",
          "citation": "CHEMBIODRAW",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN",
            "PUBLIC_DOMAIN_RELEASE",
            "AUTO_SELECTED"
          ]
        },
        {
          "uuid": "3f6fa381-a713-4f43-af96-b232db36dffb",
          "citation": "STN",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "7a0163a3-ce39-4917-8d5a-e099590699d7",
          "citation": "PCPC-DB",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "7b676366-f6b7-4d2d-b38e-9f0488ece94d",
          "citation": "SRS CODE IMPORT",
          "doc_type": "SRS",
          "public_domain": true,
          "document_date": 1493392700000,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "36ed8aa5-bb3e-488d-936a-3f976df37d3b",
          "citation": "SRS import [AKH18GGW2E]",
          "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=AKH18GGW2E",
          "doc_type": "SRS",
          "public_domain": true,
          "document_date": 1493392700000,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "e6d8c965-25db-4b5e-b846-740aeac784f6",
          "citation": "DIOLEOYL EDETOLMONIUM METHOSULFATE [INCI]",
          "doc_type": "SRS_LOCATOR",
          "public_domain": true
        },
        {
          "uuid": "1dde0ad0-071d-44d0-9c5e-a83b016be12f",
          "citation": "STN",
          "doc_type": "STN (SCIFINDER)",
          "public_domain": true
        }
      ],
      "definition_type": "PRIMARY",
      "moieties": [
        {
          "uuid": "ff37424b-1a39-483c-b62b-e1ba4c441309",
          "id": "ff37424b-1a39-483c-b62b-e1ba4c441309",
          "molfile": "\n  Marvin  01132113132D          \n\n  6  5  0  0  0  0            999 V2000\n   -3.7650    3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5699    3.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1292    4.0544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6885    4.6609    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -5.7356    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5227    4.6137    0.0000 O   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  3  4  1  0  0  0  0\n  3  5  2  0  0  0  0\n  3  6  2  0  0  0  0\nM  CHG  1   4  -1\nM  END",
          "smiles": "COS(=O)(=O)[O-]",
          "formula": "CH3O4S",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "76513e37-6a0c-4280-aaa8-414a7aed7b1d"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "111.0983",
          "optical_activity": "NONE",
          "stereo_centers": 0
        },
        {
          "uuid": "83686017-1ec9-4e5b-9084-3eeaaba8333e",
          "id": "83686017-1ec9-4e5b-9084-3eeaaba8333e",
          "molfile": "\n  Marvin  01132106492D          \n\n 59 58  0  0  0  0            999 V2000\n    4.6441   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6441   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0730   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0730   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5020   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5020   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0730    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0730    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6440    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6440    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9296    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9296    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  3  0  0\n    4.6440    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2151    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5006    5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5006    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7862    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7862    3.7125    0.0000 N   0  3  0  0  0  0  0  0  0  3  0  0\n    1.0717    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5006    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2151    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  3  0  0\n    3.9296    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2151    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  3  0  0\n    0.3572    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7862    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7862    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5006    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3572   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3572   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3572   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0717   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0717   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7862   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5006   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2151   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9296   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6441   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3586   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0730   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7875   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.5020   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7862    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  3  0  0\n    0.3572    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    4.9500    0.0000 O   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  2  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 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  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 23 21  1  0  0  0  0\n 24 23  1  0  0  0  0\n 25 24  1  0  0  0  0\n 24 56  1  0  0  0  0\n 26 25  1  0  0  0  0\n 27 26  1  0  0  0  0\n 27 28  1  0  0  0  0\n 27 29  1  0  0  0  0\n 27 33  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 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 34 36  1  0  0  0  0\n 37 36  1  0  0  0  0\n 37 38  2  0  0  0  0\n 39 37  1  0  0  0  0\n 40 39  1  0  0  0  0\n 41 40  1  0  0  0  0\n 42 41  1  0  0  0  0\n 43 42  1  0  0  0  0\n 44 43  1  0  0  0  0\n 44 45  1  0  0  0  0\n 45 46  1  0  0  0  0\n 46 47  2  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 56 57  1  0  0  0  0\n 57 58  1  0  0  0  0\n 57 59  1  0  0  0  0\nM  CHG  1  27   1\nM  END",
          "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)OC(=O)CCCCCCC/C=C\\CCCCCCCC)CC(C)O",
          "formula": "C51H99N2O6",
          "atropisomerism": "No",
          "charge": 1,
          "count": 1,
          "stereochemistry": "MIXED",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "22462209-45db-48f2-9573-009141fc9d54"
          },
          "defined_stereo": 0,
          "ez_centers": 2,
          "molecular_weight": "836.3435",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 5
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "721a065a-9b0e-4853-88d0-9ba885b99c4c",
      "version": "4",
      "structure": {
        "id": "8601d5da-0b65-4833-b9b7-77e0393d5bc8",
        "molfile": "\n  Marvin  01132106572D          \n\n 65 63  0  0  0  0            999 V2000\n    1.7862    3.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    1.7862    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5006    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5006    5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2151    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9296    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9296    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6440    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6440    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0730    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0730    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5020   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5020   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0730   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0730   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6441   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6441   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6440    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7862    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3572    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5006    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2151    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9296    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2151    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3572    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7862    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7862    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3572   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3572   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3572   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0717   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0717   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7862   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5006   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2151   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9296   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6441   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3586   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0730   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7875   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.5020   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5006    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1292    4.0544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5699    3.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7650    3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7356    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5227    4.6137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6885    4.6609    0.0000 O   0  5  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  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  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 13 12  1  0  0  0  0\n 14 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  2  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  6 27  1  0  0  0  0\n  4 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 29 31  1  0  0  0  0\n  1 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 33 35  1  0  0  0  0\n  1 36  1  0  0  0  0\n 36 37  1  0  0  0  0\n 37 38  1  0  0  0  0\n 37 39  1  0  0  0  0\n 40 39  1  0  0  0  0\n 41 40  1  0  0  0  0\n 42 41  1  0  0  0  0\n 43 42  1  0  0  0  0\n 44 43  1  0  0  0  0\n 45 44  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  2  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 40 58  2  0  0  0  0\n  1 59  1  0  0  0  0\n 60 61  1  0  0  0  0\n 61 62  1  0  0  0  0\n 60 63  2  0  0  0  0\n 60 64  2  0  0  0  0\n 60 65  1  0  0  0  0\nM  CHG  2   1   1  65  -1\nM  END",
        "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)OC(=O)CCCCCCC/C=C\\CCCCCCCC)CC(C)O.COS(=O)(=O)[O-]",
        "formula": "C51H99N2O6.CH3O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "MIXED",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "947.4418",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "36ed8aa5-bb3e-488d-936a-3f976df37d3b",
          "3f6fa381-a713-4f43-af96-b232db36dffb"
        ],
        "stereo_centers": 5
      },
      "unii": "AKH18GGW2E"
    }
  ]
}