{
  "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": "6f8b695b-6f67-41dc-9486-799c0e0d6329",
          "code": "1322-14-1",
          "type": "PRIMARY",
          "url": "https://commonchemistry.cas.org/detail?cas_rn=1322-14-1",
          "code_system": "CAS",
          "references": [
            "6fb6f702-b63a-4542-8abd-b728130e1771",
            "61fec654-6137-482e-ab30-5e94f076193a"
          ]
        },
        {
          "uuid": "980e9461-e2bf-4f7f-a551-d8f381c16cbb",
          "code": "C75199",
          "type": "PRIMARY",
          "url": "https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C75199",
          "code_system": "NCI_THESAURUS",
          "references": [
            "6fb6f702-b63a-4542-8abd-b728130e1771"
          ]
        },
        {
          "uuid": "38872821-c797-465a-883f-ac97240b5d12",
          "code": "21 CFR 333.210",
          "comments": "PART 333 -- TOPICAL ANTIMICROBIAL DRUG PRODUCTS FOR OVER-THE-COUNTER HUMAN USE|Subpart C--Topical Antifungal Drug Products|Sec. 333.210 Antifungal active ingredients.",
          "type": "PRIMARY",
          "url": "http://www.accessdata.fda.gov/scripts/cdrh/cfdocs/cfCFR/CFRSearch.cfm?fr=333.210",
          "code_system": "CFR",
          "references": [
            "6fb6f702-b63a-4542-8abd-b728130e1771"
          ]
        },
        {
          "uuid": "f985ba57-a21c-4752-bc13-ffa1f6a3825d",
          "code": "89746",
          "comments": "RxNorm",
          "type": "PRIMARY",
          "url": "https://rxnav.nlm.nih.gov/REST/rxcui/89746/allProperties.xml?prop=all",
          "code_system": "RXCUI",
          "references": [
            "6fb6f702-b63a-4542-8abd-b728130e1771"
          ]
        },
        {
          "uuid": "de9bf9d3-1965-4c08-8960-1f37d03ee448",
          "code": "SUB47776",
          "type": "PRIMARY",
          "code_system": "EVMPD",
          "references": [
            "6fb6f702-b63a-4542-8abd-b728130e1771"
          ]
        },
        {
          "uuid": "c87710fa-388c-42f5-9142-42f538139e46",
          "code": "CHEMBL2104130",
          "type": "PRIMARY",
          "url": "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104130",
          "code_system": "ChEMBL",
          "references": [
            "6fb6f702-b63a-4542-8abd-b728130e1771"
          ]
        },
        {
          "uuid": "9240296c-3fd4-4f14-a0c3-a952c5d8f7a7",
          "code": "215-331-8",
          "type": "PRIMARY",
          "url": "https://echa.europa.eu/substance-information/-/substanceinfo/100.013.938",
          "code_system": "ECHA (EC/EINECS)",
          "references": [
            "6fb6f702-b63a-4542-8abd-b728130e1771"
          ]
        },
        {
          "uuid": "7f57fab2-8fba-702d-7075-15c16a6f5ad9",
          "code": "DTXSID6057742",
          "type": "PRIMARY",
          "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID6057742",
          "code_system": "EPA CompTox",
          "references": [
            "a80cb017-52f0-ffe6-f2af-9fcb4b521da8"
          ]
        },
        {
          "uuid": "20b5c1be-555c-e1e3-1c24-fe88245bd332",
          "code": "C514",
          "comments": "Pharmacologic Substance[C1909]|Anti-Infective Agent[C254]|Antifungal Agent",
          "type": "CONCEPT",
          "url": "https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C514",
          "code_system": "NCI_THESAURUS",
          "references": [
            "12641714-388c-384b-8565-7d464eb9d226"
          ]
        },
        {
          "uuid": "7c8034c5-c0d9-48e0-2616-3dfebf13c0cf",
          "code": "14865",
          "type": "PRIMARY",
          "url": "https://pubchem.ncbi.nlm.nih.gov/compound/14865",
          "code_system": "PUBCHEM",
          "references": [
            "2c1f1164-0a8a-6b60-011f-6d63bd4374de"
          ]
        },
        {
          "uuid": "c1161055-0870-4362-9008-0e63009d63ed",
          "code": "77YW1RTU8V",
          "type": "PRIMARY",
          "code_system": "FDA UNII"
        },
        {
          "uuid": "24582ca0-23b0-2565-d378-474782802168",
          "code": "DB15678",
          "type": "PRIMARY",
          "url": "http://www.drugbank.ca/drugs/DB15678",
          "code_system": "DRUG BANK",
          "references": [
            "12641714-388c-384b-8565-7d464eb9d226"
          ]
        },
        {
          "uuid": "9512533c-8930-7755-e625-9b22ab835f6d",
          "code": "100000132592",
          "type": "PRIMARY",
          "code_system": "SMS_ID",
          "references": [
            "79be285e-2895-0338-2e6a-b14661c09a1e"
          ]
        },
        {
          "uuid": "668e0c82-5e12-fb1d-6dc5-b26575d738f7",
          "code": "77YW1RTU8V",
          "type": "PRIMARY",
          "url": "https://dailymed.nlm.nih.gov/dailymed/search.cfm?adv=1&query=77YW1RTU8V",
          "code_system": "DAILYMED",
          "references": [
            "fcd1559c-892c-596a-e244-16fd5d2cab4f"
          ]
        },
        {
          "uuid": "8aad6019-021a-cbf4-47f2-f7a42750c045",
          "code": "1087450",
          "type": "PRIMARY",
          "url": "https://store.usp.org/product/1087450",
          "code_system": "RS_ITEM_NUM",
          "references": [
            "dacca3a6-45aa-043f-539f-4f35472aa99b"
          ]
        }
      ],
      "relationships": [
        {
          "uuid": "da3cfd35-c580-4f4d-bb20-96c7d193ef07",
          "type": "PARENT->SALT/SOLVATE",
          "related_substance": {
            "uuid": "6d13a072-39f3-4248-aaca-15afb25c06ce",
            "refuuid": "d897b1fa-cf4a-43ed-93e6-fd6503f9772b",
            "name": "UNDECYLENIC ACID",
            "unii": "K3D86KJ24N",
            "linking_id": "K3D86KJ24N",
            "ref_pname": "UNDECYLENIC ACID",
            "substance_class": "reference"
          }
        }
      ],
      "substance_class": "chemical",
      "names": [
        {
          "uuid": "0a2613a7-b33c-4600-a70d-38ec3413d6e3",
          "name": "CALCIUM UNDECENOATE",
          "stdName": "CALCIUM UNDECENOATE",
          "type": "sys",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "94a5bb30-a32c-42e1-bf72-cd9b7a753504",
            "47131e41-6d47-47ee-8e82-f0b7816d9ccf",
            "41a3236a-b14e-4d2a-8fad-d691b21095de",
            "fc5df819-95b7-4140-895d-803665c03e0c",
            "7c81fe8b-23fc-41af-ab3c-7087f94c4ce8",
            "a16d92b1-6299-4f0f-9155-bc791b7bd230"
          ],
          "display_name": false
        },
        {
          "uuid": "5115ade0-882b-49a7-ba06-a677c0e8c09a",
          "name": "CALCIUM UNDECENOATE [MART.]",
          "stdName": "CALCIUM UNDECENOATE [MART.]",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "7c81fe8b-23fc-41af-ab3c-7087f94c4ce8"
          ],
          "display_name": false
        },
        {
          "uuid": "fdbd316b-670e-4a7f-884d-6abbdc089864",
          "name": "CALCIUM UNDECYLENATE",
          "stdName": "CALCIUM UNDECYLENATE",
          "type": "of",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "8690380d-9545-444a-9431-56aaf7c4d9ed",
            "e4217b75-54fc-4144-854d-36926672e7b2",
            "47131e41-6d47-47ee-8e82-f0b7816d9ccf",
            "48a5599a-bb0b-41e7-a93c-f2ad22729e77",
            "a4eb4c93-bd17-458d-961b-f77f189bfab2",
            "c655b962-e3d0-4223-98e1-fc0dd247492f",
            "d1b92b1c-d5ed-409d-851d-3987a62e9f52",
            "b07768aa-0986-4f0d-bc60-129d27726472"
          ],
          "display_name": true,
          "domains": [
            "drug",
            "cosmetic"
          ],
          "name_orgs": [
            {
              "uuid": "cf89994a-63de-43d1-a4a7-8df7379f5d15",
              "name_org": "USAN"
            },
            {
              "uuid": "32da4481-cd4c-4459-9c5d-5097190b4f15",
              "name_org": "INCI"
            }
          ]
        },
        {
          "uuid": "bac508e8-4360-44c6-91b8-f43e9fb70f16",
          "name": "CALCIUM UNDECYLENATE [USAN]",
          "stdName": "CALCIUM UNDECYLENATE [USAN]",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "e4217b75-54fc-4144-854d-36926672e7b2"
          ],
          "display_name": false
        },
        {
          "uuid": "fb1302ec-fbc0-4fb6-dec5-ea2fd371b59b",
          "name": "CALCIUM UNDECYLENATE [USP MONOGRAPH]",
          "stdName": "CALCIUM UNDECYLENATE [USP MONOGRAPH]",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "8d8484f8-5926-ead8-1850-47221929464c"
          ],
          "display_name": false
        },
        {
          "uuid": "58aa4e28-7fa1-457d-9223-d6482f187750",
          "name": "CRUEX",
          "stdName": "CRUEX",
          "type": "bn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "94a5bb30-a32c-42e1-bf72-cd9b7a753504",
            "47131e41-6d47-47ee-8e82-f0b7816d9ccf"
          ],
          "display_name": false
        },
        {
          "uuid": "88e30b2f-6069-a801-86bb-267ddb088e82",
          "name": "Calcium 10-undecenoate",
          "stdName": "CALCIUM 10-UNDECENOATE",
          "type": "sys",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "bf8e54c5-c4d1-59e1-7dea-22f0c50f9d12"
          ],
          "display_name": false
        },
        {
          "uuid": "f5581081-41c9-210a-bd04-530a0446a2ef",
          "name": "Calcium undecenoate [WHO-DD]",
          "stdName": "CALCIUM UNDECENOATE [WHO-DD]",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "a2c44818-e082-42e7-f641-7613c67cf100"
          ],
          "display_name": false
        },
        {
          "uuid": "48df68c3-02c3-48c9-b500-304c3d42328d",
          "name": "UNDECYLENATE CALCIUM",
          "stdName": "UNDECYLENATE CALCIUM",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "a957a553-135e-4d98-bad2-6f50d309685a",
            "47131e41-6d47-47ee-8e82-f0b7816d9ccf",
            "07f02540-67e9-445b-87af-6db830818e64"
          ],
          "display_name": false
        },
        {
          "uuid": "99fab070-446b-4a27-8e5a-4e94bee7683a",
          "name": "UNDECYLENATE CALCIUM [VANDF]",
          "stdName": "UNDECYLENATE CALCIUM [VANDF]",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "47131e41-6d47-47ee-8e82-f0b7816d9ccf",
            "07f02540-67e9-445b-87af-6db830818e64"
          ],
          "display_name": false
        }
      ],
      "references": [
        {
          "uuid": "27c05323-8703-49e8-b4b6-c94a1ae7e2a4",
          "citation": "STN 2007",
          "doc_type": "STN (SCIFINDER)",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "c655b962-e3d0-4223-98e1-fc0dd247492f",
          "citation": "USP Dictionary",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN",
            "PUBLIC_DOMAIN_RELEASE",
            "AUTO_SELECTED"
          ]
        },
        {
          "uuid": "94a5bb30-a32c-42e1-bf72-cd9b7a753504",
          "citation": "MARTINDALE",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "47131e41-6d47-47ee-8e82-f0b7816d9ccf",
          "citation": "MARTINDALE",
          "doc_type": "MARTINDALE",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "e4217b75-54fc-4144-854d-36926672e7b2",
          "citation": "USP DICTIONARY 2011",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "b07768aa-0986-4f0d-bc60-129d27726472",
          "citation": "USP 33",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "7c81fe8b-23fc-41af-ab3c-7087f94c4ce8",
          "citation": "MARTINDALE 2011",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "07f02540-67e9-445b-87af-6db830818e64",
          "citation": "NDF-RT",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "48a5599a-bb0b-41e7-a93c-f2ad22729e77",
          "citation": "PCPC",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "a16d92b1-6299-4f0f-9155-bc791b7bd230",
          "citation": "WHO-DD",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "6fb6f702-b63a-4542-8abd-b728130e1771",
          "citation": "SRS CODE IMPORT",
          "doc_type": "SRS",
          "public_domain": true,
          "document_date": 1493389689000,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "d4d6b65a-c299-4be3-bc41-28febe493b36",
          "citation": "SRS import [77YW1RTU8V]",
          "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=77YW1RTU8V",
          "doc_type": "SRS",
          "public_domain": true,
          "document_date": 1493389689000,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "8690380d-9545-444a-9431-56aaf7c4d9ed",
          "citation": "CALCIUM UNDECYLENATE [USAN]",
          "doc_type": "SRS_LOCATOR",
          "public_domain": true
        },
        {
          "uuid": "d1b92b1c-d5ed-409d-851d-3987a62e9f52",
          "citation": "CALCIUM UNDECYLENATE [USP]",
          "doc_type": "SRS_LOCATOR",
          "public_domain": true
        },
        {
          "uuid": "41a3236a-b14e-4d2a-8fad-d691b21095de",
          "citation": "CALCIUM UNDECENOATE [MART.]",
          "doc_type": "SRS_LOCATOR",
          "public_domain": true
        },
        {
          "uuid": "a4eb4c93-bd17-458d-961b-f77f189bfab2",
          "citation": "CALCIUM UNDECYLENATE [INCI]",
          "doc_type": "SRS_LOCATOR",
          "public_domain": true
        },
        {
          "uuid": "a957a553-135e-4d98-bad2-6f50d309685a",
          "citation": "UNDECYLENATE CALCIUM [VANDF]",
          "doc_type": "SRS_LOCATOR",
          "public_domain": true
        },
        {
          "uuid": "fc5df819-95b7-4140-895d-803665c03e0c",
          "citation": "CALCIUM UNDECENOATE [WHO-DD]",
          "doc_type": "SRS_LOCATOR",
          "public_domain": true
        },
        {
          "uuid": "a80cb017-52f0-ffe6-f2af-9fcb4b521da8",
          "citation": "WEBSITE",
          "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=1322-14-1",
          "doc_type": "WEBSITE",
          "public_domain": true,
          "tags": [
            "NOMEN",
            "PUBLIC_DOMAIN_RELEASE"
          ]
        },
        {
          "uuid": "12641714-388c-384b-8565-7d464eb9d226",
          "doc_type": "SYSTEM",
          "public_domain": true
        },
        {
          "uuid": "61fec654-6137-482e-ab30-5e94f076193a",
          "citation": "STN",
          "doc_type": "STN (SCIFINDER)",
          "public_domain": true
        },
        {
          "uuid": "2c1f1164-0a8a-6b60-011f-6d63bd4374de",
          "citation": "PUBCHEM",
          "doc_type": "PUBCHEM",
          "public_domain": true
        },
        {
          "uuid": "8d8484f8-5926-ead8-1850-47221929464c",
          "citation": "USP 10/2020",
          "doc_type": "USPNF",
          "public_domain": true
        },
        {
          "uuid": "dacca3a6-45aa-043f-539f-4f35472aa99b",
          "citation": "USP/NF",
          "doc_type": "USPNF",
          "public_domain": true
        },
        {
          "uuid": "fcd1559c-892c-596a-e244-16fd5d2cab4f",
          "citation": "DailyMed",
          "doc_type": "DAILYMED",
          "public_domain": true
        },
        {
          "uuid": "a2c44818-e082-42e7-f641-7613c67cf100",
          "citation": "WHO-DD",
          "doc_type": "WHO DRUG DICTIONARY",
          "public_domain": true
        },
        {
          "uuid": "bf8e54c5-c4d1-59e1-7dea-22f0c50f9d12",
          "citation": "USP",
          "doc_type": "USP",
          "public_domain": true
        },
        {
          "uuid": "79be285e-2895-0338-2e6a-b14661c09a1e",
          "citation": "EU-SRS",
          "doc_type": "EMA LIST",
          "public_domain": true
        }
      ],
      "definition_type": "PRIMARY",
      "moieties": [
        {
          "uuid": "cd911ac5-1fec-4ed2-9855-9f0093cb4530",
          "id": "cd911ac5-1fec-4ed2-9855-9f0093cb4530",
          "molfile": "\n  Marvin  01132110372D          \n\n  1  0  0  0  0  0            999 V2000\n    6.0149   -2.1650    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\nM  CHG  1   1   2\nM  END",
          "smiles": "[Ca+2]",
          "formula": "Ca",
          "atropisomerism": "No",
          "charge": 2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "1aaea1e0-3654-4a27-a9fa-753d05bb14ba"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "40.078",
          "optical_activity": "NONE",
          "stereo_centers": 0
        },
        {
          "uuid": "d48f9aca-d867-4367-b521-4745eb0db942",
          "id": "d48f9aca-d867-4367-b521-4745eb0db942",
          "molfile": "\n  Marvin  01132111012D          \n\n 13 12  0  0  0  0            999 V2000\n    5.0542   -2.7027    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.2873   -2.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2900   -1.4520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5850   -2.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8702   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1680   -2.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4548   -2.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7266   -2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0150   -2.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6979   -2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4382   -2.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1672   -2.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8965   -2.4154    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  2  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  2  0  0  0  0\nM  CHG  1   1  -1\nM  END",
          "smiles": "C=CCCCCCCCCC(=O)[O-]",
          "formula": "C11H19O2",
          "atropisomerism": "No",
          "charge": -1,
          "count": 2,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 2,
            "units": "MOL RATIO",
            "uuid": "f8c3ca45-741e-4ba9-8043-fa27782e6edd"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "183.2678",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "99671a90-8591-45fb-a06c-45d65447d84e",
      "version": "18",
      "structure": {
        "id": "e11616db-67ab-4e7f-975b-cc5fc11967bd",
        "molfile": "\n  Marvin  01132111392D          \n\n 27 24  0  0  0  0            999 V2000\n    4.2873   -2.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0542   -2.7027    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.2900   -1.4520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1672   -2.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8965   -2.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5850   -2.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4382   -2.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8702   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6979   -2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0150   -2.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1680   -2.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4548   -2.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7266   -2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0149   -2.1650    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    4.2873   -2.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0542   -2.7027    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.2900   -1.4520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1672   -2.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8965   -2.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5850   -2.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4382   -2.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8702   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6979   -2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0150   -2.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1680   -2.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4548   -2.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7266   -2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0  0  0  0\n  4  7  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  1  1  0  0  0  0\n  7  9  1  0  0  0  0\n  8  6  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 13  1  0  0  0  0\n 11  8  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n  2  1  1  0  0  0  0\n 17 15  2  0  0  0  0\n 20 15  1  0  0  0  0\n 16 15  1  0  0  0  0\n 18 21  1  0  0  0  0\n 19 18  2  0  0  0  0\n 22 20  1  0  0  0  0\n 21 23  1  0  0  0  0\n 25 22  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 27  1  0  0  0  0\n 26 25  1  0  0  0  0\n 27 26  1  0  0  0  0\nM  CHG  3   2  -1  14   2  16  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  15  16\nM  SAL   1 11  17  18  19  20  21  22  23  24  25  26  27\nM  SPA   1 13   1   2   3   4   5   6   7   8   9  10  11  12  13\nM  SDI   1  4   -3.3165   -3.2182   -3.3165   -1.0320\nM  SDI   1  4    5.4742   -1.0320    5.4742   -3.2182\nM  SMT   1 2\nM  END",
        "smiles": "C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Ca+2]",
        "formula": "2C11H19O2.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "406.6136",
        "optical_activity": "NONE",
        "references": [
          "c655b962-e3d0-4223-98e1-fc0dd247492f",
          "d4d6b65a-c299-4be3-bc41-28febe493b36"
        ],
        "stereo_centers": 0
      },
      "unii": "77YW1RTU8V"
    }
  ]
}