{ "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": "2026-09-09", "results": { "skip": 0, "limit": 1, "total": 1 } }, "results": [ { "codes": [ { "uuid": "b43353a3-ae44-49e0-9bf2-8772bd73862d", "code": "J9ULC97SE5", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "fb3340b8-cce8-224a-8e15-e1eb911b33cc", "code": "155884725", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/155884725", "code_system": "PUBCHEM", "references": [ "6f549579-b5b1-87e9-956a-4071aedacb74" ] }, { "uuid": "b274444c-ebd3-6753-86b1-1ec10c2b1397", "code": "2537436", "type": "PRIMARY", "url": "https://rxnav.nlm.nih.gov/REST/rxcui/2537436/allProperties.xml?prop=all", "code_system": "RXCUI", "references": [ "e8f5927c-a03f-7f60-230a-383245584805" ] }, { "uuid": "905ea5ba-01b9-01f6-eb02-2cbc537ff51c", "code": "J9ULC97SE5", "type": "PRIMARY", "url": "https://dailymed.nlm.nih.gov/dailymed/search.cfm?adv=1&query=J9ULC97SE5", "code_system": "DAILYMED", "references": [ "dfee6e82-d0ea-0280-0aad-ad6aefa3daf8" ] } ], "substance_class": "chemical", "names": [ { "uuid": "094f0b50-68fc-8c83-2e30-fde764490560", "name": "GARAMITE-7308 XR COMPONENT QUATERNIUM-90 SEPIOLITE", "stdName": "GARAMITE-7308 XR COMPONENT QUATERNIUM-90 SEPIOLITE", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "9b964f56-9154-c18a-8812-c78e2cfadc39" ], "display_name": false }, { "uuid": "6392cc62-ac18-a19c-a6bc-b4aba8f7cbf3", "name": "QUATERNIUM-90 SEPIOLITE", "stdName": "QUATERNIUM-90 SEPIOLITE", "type": "of", "languages": [ "en" ], "preferred": false, "references": [ "9b964f56-9154-c18a-8812-c78e2cfadc39" ], "display_name": true, "domains": [ "cosmetic" ], "name_orgs": [ { "uuid": "07fbc713-1170-0602-e978-2179fdd90872", "name_org": "INCI" } ] } ], "references": [ { "uuid": "e8f5927c-a03f-7f60-230a-383245584805", "citation": "RXNORM", "doc_type": "NLM", "public_domain": true }, { "uuid": "9b964f56-9154-c18a-8812-c78e2cfadc39", "citation": "GARAMITE-7308 XR", "url": "https://www.ulprospector.com/en/na/PersonalCare/Detail/1091/653803/GARAMITE-7308-XR", "doc_type": "WEB PAGE", "public_domain": true, "tags": [ "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "35ff12de-9190-7120-e588-57e031bf623e", "citation": "PCPC-DB", "doc_type": "PERSONAL CARE PRODUCTS COUNCIL", "public_domain": true, "tags": [ "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "6f549579-b5b1-87e9-956a-4071aedacb74", "citation": "PUBCHEM", "doc_type": "PUBCHEM", "public_domain": true }, { "uuid": "dfee6e82-d0ea-0280-0aad-ad6aefa3daf8", "citation": "DailyMed", "doc_type": "DAILYMED", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "b43d5f70-d14d-4560-948c-2ca44e2330ef", "id": "b43d5f70-d14d-4560-948c-2ca44e2330ef", "molfile": "\n CDK 04032419012D\n\n 35 34 0 0 0 0 0 0 0 0999 V2000\n 22.5548 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1888 -7.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.2392 -1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8759 -7.6955 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 44.7473 -13.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.2392 -13.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1361 -12.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.6370 -12.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.5339 -11.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.0258 -12.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.9227 -11.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.4147 -11.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.3116 -10.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.8035 -10.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.7004 -9.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.1923 -10.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.0892 -9.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.5812 -9.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4781 -8.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9790 -8.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9790 -6.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4781 -6.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.5812 -5.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.0892 -6.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.1923 -5.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.7004 -5.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.8035 -4.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.3116 -4.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.4147 -3.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.9227 -4.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.0258 -3.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.5339 -3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.6370 -2.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1361 -2.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.7992 -1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4 2 1 0 0 0 0\n 4 1 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 19 18 1 0 0 0 0\n 20 19 1 0 0 0 0\n 4 20 1 0 0 0 0\n 4 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 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 3 1 0 0 0 0\n 3 35 1 0 0 0 0\nM CHG 1 4 1\nM END", "smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC", "formula": "C34H72N", "atropisomerism": "No", "charge": 1, "count": 2, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 2, "units": "MOL RATIO", "uuid": "9ea021cf-82e9-4d97-aaf9-fe736b9c14d1" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "494.9435", "optical_activity": "NONE", "stereo_centers": 0 }, { "uuid": "47533273-48b8-42b1-ac1d-2516e935dd7b", "id": "47533273-48b8-42b1-ac1d-2516e935dd7b", "molfile": "\n CDK 04032419012D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 11.1550 -1.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7890 -2.3810 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4540 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7580 -3.9400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 7.0880 -2.3270 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7530 -1.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0570 -3.8860 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 2 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\nM CHG 1 4 -1\nM CHG 1 7 -1\nM END", "smiles": "O=[Si]([O-])O[Si](=O)[O-]", "formula": "O5Si2", "atropisomerism": "No", "charge": -2, "count": 3, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 3, "units": "MOL RATIO", "uuid": "a00e016d-2285-4660-ac3a-843932220149" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "136.1678", "optical_activity": "NONE", "stereo_centers": 0 }, { "uuid": "8b3fc119-3e73-4e24-88b3-aec4ae1d332f", "id": "8b3fc119-3e73-4e24-88b3-aec4ae1d332f", "molfile": "\n CDK 04032419012D\n\n 1 0 0 0 0 0 0 0 0 0999 V2000\n 1.9110 -2.9580 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0\nM CHG 1 1 2\nM END", "smiles": "[Mg+2]", "formula": "Mg", "atropisomerism": "No", "charge": 2, "count": 3, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 3, "units": "MOL RATIO", "uuid": "c1fa0ad3-6857-479d-b640-e4a6937efce3" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "24.3051", "optical_activity": "NONE", "stereo_centers": 0 }, { "uuid": "f4b42302-4cfc-4999-8c8d-2d3e16153e17", "id": "f4b42302-4cfc-4999-8c8d-2d3e16153e17", "molfile": "\n CDK 04032419012D\n\n 1 0 0 0 0 0 0 0 0 0999 V2000\n 14.7470 -2.2980 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 1 1 -1\nM END", "smiles": "[OH-]", "formula": "HO", "atropisomerism": "No", "charge": -1, "count": 2, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 2, "units": "MOL RATIO", "uuid": "52ae2fe9-ebfd-4f2c-8915-1b978d653c37" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "17.0073", "optical_activity": "NONE", "stereo_centers": 0 }, { "uuid": "3181502f-a8c1-4d55-93c3-e70ee456aa9c", "id": "3181502f-a8c1-4d55-93c3-e70ee456aa9c", "molfile": "\n CDK 04032419012D\n\n 1 0 0 0 0 0 0 0 0 0999 V2000\n 18.6680 -2.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\nM END", "smiles": "O", "formula": "H2O", "atropisomerism": "No", "charge": 0, "count": 6, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 6, "units": "MOL RATIO", "uuid": "6aae46fd-791a-4fbf-8bb6-5b1a2208e9df" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "18.0153", "optical_activity": "NONE", "stereo_centers": 0 } ], "definition_level": "REPRESENTATIVE", "uuid": "30d82f49-0b65-48d6-9031-cb66e805ec71", "version": "9", "structure": { "id": "de8fd5a6-5086-43dc-abe0-f43e835316ee", "molfile": "\n JSDraw203252111152D\n\n102 86 0 0 0 0 0 V2000\n 22.5548 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1888 -7.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.2392 -1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8759 -7.6955 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 44.7473 -13.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.2392 -13.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1361 -12.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.6370 -12.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.5339 -11.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.0258 -12.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.9227 -11.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.4147 -11.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.3116 -10.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.8035 -10.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.7004 -9.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.1923 -10.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.0892 -9.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.5812 -9.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4781 -8.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9790 -8.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9790 -6.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4781 -6.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.5812 -5.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.0892 -6.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.1923 -5.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.7004 -5.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.8035 -4.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.3116 -4.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.4147 -3.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.9227 -4.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.0258 -3.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.5339 -3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.6370 -2.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1361 -2.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1550 -1.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7890 -2.3810 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4540 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7580 -3.9400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 7.0880 -2.3270 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7530 -1.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0570 -3.8860 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.9110 -2.9580 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0\n 14.7470 -2.2980 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 18.6680 -2.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 44.7992 -1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1550 -1.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7890 -2.3810 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4540 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7580 -3.9400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 7.0880 -2.3270 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7530 -1.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0570 -3.8860 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 11.1550 -1.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7890 -2.3810 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4540 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7580 -3.9400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 7.0880 -2.3270 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7530 -1.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0570 -3.8860 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 18.6680 -2.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6680 -2.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6680 -2.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6680 -2.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6680 -2.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7470 -2.2980 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.9110 -2.9580 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0\n 1.9110 -2.9580 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0\n 22.5548 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1888 -7.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.2392 -1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8759 -7.6955 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 44.7473 -13.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.2392 -13.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1361 -12.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.6370 -12.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.5339 -11.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.0258 -12.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.9227 -11.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.4147 -11.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.3116 -10.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.8035 -10.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.7004 -9.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.1923 -10.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.0892 -9.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.5812 -9.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4781 -8.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9790 -8.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9790 -6.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4781 -6.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.5812 -5.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.0892 -6.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.1923 -5.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.7004 -5.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.8035 -4.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.3116 -4.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.4147 -3.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.9227 -4.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.0258 -3.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.5339 -3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.6370 -2.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1361 -2.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.7992 -1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4 2 1 0 0 0 0\n 4 1 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 19 18 1 0 0 0 0\n 20 19 1 0 0 0 0\n 4 20 1 0 0 0 0\n 4 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 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 3 1 0 0 0 0\n 35 36 2 0 0 0 0\n 36 37 1 0 0 0 0\n 36 38 1 0 0 0 0\n 37 39 1 0 0 0 0\n 39 40 2 0 0 0 0\n 39 41 1 0 0 0 0\n 3 45 1 0 0 0 0\n 46 47 2 0 0 0 0\n 47 48 1 0 0 0 0\n 47 49 1 0 0 0 0\n 48 50 1 0 0 0 0\n 50 51 2 0 0 0 0\n 50 52 1 0 0 0 0\n 53 54 2 0 0 0 0\n 54 55 1 0 0 0 0\n 54 56 1 0 0 0 0\n 55 57 1 0 0 0 0\n 57 58 2 0 0 0 0\n 57 59 1 0 0 0 0\n 71 69 1 0 0 0 0\n 71 68 1 0 0 0 0\n 73 72 1 0 0 0 0\n 74 73 1 0 0 0 0\n 75 74 1 0 0 0 0\n 76 75 1 0 0 0 0\n 77 76 1 0 0 0 0\n 78 77 1 0 0 0 0\n 79 78 1 0 0 0 0\n 80 79 1 0 0 0 0\n 81 80 1 0 0 0 0\n 82 81 1 0 0 0 0\n 83 82 1 0 0 0 0\n 84 83 1 0 0 0 0\n 85 84 1 0 0 0 0\n 86 85 1 0 0 0 0\n 87 86 1 0 0 0 0\n 71 87 1 0 0 0 0\n 71 88 1 0 0 0 0\n 88 89 1 0 0 0 0\n 89 90 1 0 0 0 0\n 90 91 1 0 0 0 0\n 91 92 1 0 0 0 0\n 92 93 1 0 0 0 0\n 93 94 1 0 0 0 0\n 94 95 1 0 0 0 0\n 95 96 1 0 0 0 0\n 96 97 1 0 0 0 0\n 97 98 1 0 0 0 0\n 98 99 1 0 0 0 0\n 99100 1 0 0 0 0\n100101 1 0 0 0 0\n101 70 1 0 0 0 0\n 70102 1 0 0 0 0\nM STY 1 1 MUL\nM SAL 1 8 35 36 37 38 39 40 41 46\nM SAL 1 8 47 48 49 50 51 52 53 54\nM SAL 1 5 55 56 57 58 59\nM SPA 1 7 35 36 37 38 39 40 41\nM SDI 1 4 4.8330 -4.8880 4.8330 -0.5720\nM SDI 1 4 12.0750 -0.5720 12.0750 -4.8880\nM SMT 1 3\nM STY 1 2 MUL\nM SAL 2 6 44 60 61 62 63 64\nM SPA 2 1 44\nM SDI 2 4 17.7480 -3.2160 17.7480 -1.2680\nM SDI 2 4 20.3040 -1.2680 20.3040 -3.2160\nM SMT 2 6\nM STY 1 3 MUL\nM SAL 3 2 43 65\nM SPA 3 1 43\nM SDI 3 4 13.9360 -3.7440 13.9360 -1.2480\nM SDI 3 4 16.3800 -1.2480 16.3800 -3.7440\nM SMT 3 2\nM STY 1 4 MUL\nM SAL 4 3 42 66 67\nM SPA 4 1 42\nM SDI 4 4 0.6760 -4.4200 0.6760 -1.9760\nM SDI 4 4 3.2760 -1.9760 3.2760 -4.4200\nM SMT 4 3\nM STY 1 5 MUL\nM SAL 5 8 1 2 3 4 5 6 7 8\nM SAL 5 8 9 10 11 12 13 14 15 16\nM SAL 5 8 17 18 19 20 21 22 23 24\nM SAL 5 8 25 26 27 28 29 30 31 32\nM SAL 5 8 33 34 45 68 69 70 71 72\nM SAL 5 8 73 74 75 76 77 78 79 80\nM SAL 5 8 81 82 83 84 85 86 87 88\nM SAL 5 8 89 90 91 92 93 94 95 96\nM SAL 5 6 97 98 99 100 101 102\nM SPA 5 8 1 2 3 4 5 6 7 8\nM SPA 5 8 9 10 11 12 13 14 15 16\nM SPA 5 8 17 18 19 20 21 22 23 24\nM SPA 5 8 25 26 27 28 29 30 31 32\nM SPA 5 3 33 34 45\nM SDI 5 4 21.6320 -14.9240 21.6320 -0.4680\nM SDI 5 4 45.8640 -0.4680 45.8640 -14.9240\nM SMT 5 2\nM CHG 8 4 1 38 -1 41 -1 42 2 43 -1 49 -1 52 -1 56 -1\nM CHG 5 59 -1 65 -1 66 2 67 2 71 1\nM END", "smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Mg+2].[Mg+2].[Mg+2].O=[Si]([O-])O[Si](=O)[O-].O=[Si]([O-])O[Si](=O)[O-].O=[Si]([O-])O[Si](=O)[O-].O.O.O.O.O.O.[OH-].[OH-]", "formula": "2C34H72N.3Mg.3O5Si2.2HO.6H2O", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1613.4119", "optical_activity": "NONE", "references": [ "9b964f56-9154-c18a-8812-c78e2cfadc39", "35ff12de-9190-7120-e588-57e031bf623e" ], "stereo_centers": 0 }, "modifications": { "uuid": "5423d453-b118-330c-8b92-a49a27e417fc" }, "unii": "J9ULC97SE5" } ] }