{ "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": "34e15b9f-d6cc-4916-95f2-68b4c3bfa922", "code": "1937-37-7", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=1937-37-7", "code_system": "CAS", "references": [ "70f4a1a3-65c6-441f-9cba-bd1ac49c40a5", "b87bdfb5-78d1-4297-87bf-913370348ad1" ] }, { "uuid": "bc18f5d1-8b05-4db3-af38-fb516522c844", "code": "C45531", "type": "PRIMARY", "url": "https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C45531", "code_system": "NCI_THESAURUS", "references": [ "70f4a1a3-65c6-441f-9cba-bd1ac49c40a5" ] }, { "uuid": "bd62740a-9599-4f3c-a7d5-40961a04d1f7", "code": "217-710-3", "type": "PRIMARY", "url": "https://echa.europa.eu/substance-information/-/substanceinfo/100.016.101", "code_system": "ECHA (EC/EINECS)", "references": [ "70f4a1a3-65c6-441f-9cba-bd1ac49c40a5" ] }, { "uuid": "998ed8ef-ae30-b29c-07c5-ed02a275a578", "code": "5031", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/5031", "code_system": "HSDB", "references": [ "18d442c3-933a-e1ba-7969-2b23f738b4bf" ] }, { "uuid": "6bdba99c-a398-af27-f289-e50ccd5835e7", "code": "DTXSID7020184", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020184", "code_system": "EPA CompTox", "references": [ "0b7195f6-d5be-7bd5-00d0-8fb8b36425df" ] }, { "uuid": "a7717f8d-fd81-a035-f7ea-d7a2d400296f", "code": "C45406", "comments": "Chemical Modifier[C1932]|Carcinogen[C347]|Chemical Carcinogen[C1743]|Organic Carcinogen[C45175]|Carcinogen Containing Dye[C44464]|Benzidine Containing Dye", "type": "CONCEPT", "url": "https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C45406", "code_system": "NCI_THESAURUS", "references": [ "0da5b48c-b341-4aa9-deef-f5633936289c" ] }, { "uuid": "ea60e5ce-f5fc-4618-a7f6-9b8a1e1116d3", "code": "C7SV16SLWM", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "be5ca42c-b446-9c26-302c-ca48da229ebb", "code": "8679", "type": "PRIMARY", "url": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8679", "code_system": "NSC", "references": [ "0a042e9e-a9eb-2aa3-ab70-626e0b331c5e" ] }, { "uuid": "67757b2c-8d6a-21f3-9e41-5a31619dbd20", "code": "300000053250", "type": "PRIMARY", "code_system": "SMS_ID", "references": [ "c8ea64c0-fe88-2427-849d-f95f2f259fce" ] } ], "substance_class": "chemical", "names": [ { "uuid": "bee6943e-9c20-44ee-8516-64baad9d034c", "name": "C.I. 30235", "stdName": "C.I. 30235", "type": "cd", "languages": [ "en" ], "preferred": false, "references": [ "f81f9339-e36b-4116-92ec-76a851b8be76", "45319d70-8af8-465a-94b7-84dedec47cdd" ], "display_name": false }, { "uuid": "0943e3a5-f8d8-4b50-adea-671562dcb3e6", "name": "C.I. DIRECT BLACK 38", "stdName": "C.I. DIRECT BLACK 38", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "af9d030e-2b1d-4d41-98a5-c553439cfa4b", "7b543a59-c614-4d5d-92f7-412a388b95eb", "f81f9339-e36b-4116-92ec-76a851b8be76", "67dacfb7-4112-457e-bbc2-9e7079669773" ], "display_name": false }, { "uuid": "88de0943-5651-49b7-a046-46c112f187ae", "name": "C.I. DIRECT BLACK 38 [HSDB]", "stdName": "C.I. DIRECT BLACK 38 [HSDB]", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "f81f9339-e36b-4116-92ec-76a851b8be76", "67dacfb7-4112-457e-bbc2-9e7079669773" ], "display_name": false }, { "uuid": "0ea613cc-9ca5-4466-85fb-f336b77e2cd2", "name": "CHLORAZOL BLACK E", "stdName": "CHLORAZOL BLACK E", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "f81f9339-e36b-4116-92ec-76a851b8be76", "45319d70-8af8-465a-94b7-84dedec47cdd" ], "display_name": false }, { "uuid": "9e1b977b-557e-4698-9a02-ec5181fcd27b", "name": "CI 30235", "stdName": "CI 30235", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "f81f9339-e36b-4116-92ec-76a851b8be76", "101a78d7-a5d4-42d1-8ab0-5c53c8628a1d" ], "display_name": false }, { "uuid": "9f42a8fa-c5fa-4e5a-99c4-7594eb49d812", "name": "CI DIRECT BLACK 38", "stdName": "CI DIRECT BLACK 38", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "4a46c16a-58a0-4f09-a18f-7bae8b67774a" ], "display_name": false }, { "uuid": "79df5d1d-5ec6-7736-f32d-52f6a307345f", "name": "CI DIRECT BLACK 38 [IARC]", "stdName": "CI DIRECT BLACK 38 [IARC]", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "eb8b8a50-0a1a-1370-3498-4045259597e1" ], "display_name": false }, { "uuid": "b8639b41-ad29-45da-b65c-c1f2301ee3d2", "name": "DIRECT BLACK 38", "stdName": "DIRECT BLACK 38", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "f81f9339-e36b-4116-92ec-76a851b8be76", "45319d70-8af8-465a-94b7-84dedec47cdd" ], "display_name": true }, { "uuid": "e76d2f8b-4d9e-4306-bb8e-b465a1db1a41", "name": "DISODIUM 4-AMINO-3-((4'-((2,4-DIAMINOPHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-5-HYDROXY-6-(PHENYLAZO)NAPHTHALENE-2,7-DISULPHONATE", "stdName": "DISODIUM 4-AMINO-3-((4'-((2,4-DIAMINOPHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-5-HYDROXY-6-(PHENYLAZO)NAPHTHALENE-2,7-DISULPHONATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "f81f9339-e36b-4116-92ec-76a851b8be76", "45319d70-8af8-465a-94b7-84dedec47cdd" ], "display_name": false }, { "uuid": "b7760574-b760-400d-a317-8f347796f4d6", "name": "NSC-8679", "stdName": "NSC-8679", "type": "cd", "languages": [ "en" ], "preferred": false, "references": [ "9d0760cc-8b8b-4422-9a24-11c466a28e51", "f81f9339-e36b-4116-92ec-76a851b8be76" ], "display_name": false } ], "references": [ { "uuid": "4a46c16a-58a0-4f09-a18f-7bae8b67774a", "citation": "ICSAS BATCH 2010", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "45319d70-8af8-465a-94b7-84dedec47cdd", "citation": "http://www.chemblink.com/products/1937-37-7.htm", "url": "http://www.chemblink.com/products/1937-37-7.htm", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "f81f9339-e36b-4116-92ec-76a851b8be76", "citation": "WEB PAGE", "doc_type": "WEB PAGE", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "67dacfb7-4112-457e-bbc2-9e7079669773", "citation": "HSDB", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "101a78d7-a5d4-42d1-8ab0-5c53c8628a1d", "citation": "FDA_SRS", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "af9d030e-2b1d-4d41-98a5-c553439cfa4b", "citation": "TOX 21", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "9d0760cc-8b8b-4422-9a24-11c466a28e51", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "70f4a1a3-65c6-441f-9cba-bd1ac49c40a5", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493390888000, "tags": [ "NOMEN" ] }, { "uuid": "64d4debb-636b-4a71-a2a8-24481f152dc2", "citation": "SRS import [C7SV16SLWM]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=C7SV16SLWM", "doc_type": "SRS", "public_domain": true, "document_date": 1493390888000, "tags": [ "NOMEN" ] }, { "uuid": "cded2186-f7e2-4ed7-88a7-9ba71cc84b46", "citation": "CHEMID 2010", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "7b543a59-c614-4d5d-92f7-412a388b95eb", "citation": "C.I. DIRECT BLACK 38 [HSDB]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "18d442c3-933a-e1ba-7969-2b23f738b4bf", "citation": "WEBSITE", "url": "https://toxnet.nlm.nih.gov/cgi-bin/sis/search2/r?dbs+hsdb:@term+@rn+@rel+1937-37-7", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "0b7195f6-d5be-7bd5-00d0-8fb8b36425df", "citation": "WEBSITE", "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=1937-37-7", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "eb8b8a50-0a1a-1370-3498-4045259597e1", "citation": "IARC", "doc_type": "IARC", "public_domain": true }, { "uuid": "0da5b48c-b341-4aa9-deef-f5633936289c", "doc_type": "SYSTEM", "public_domain": true }, { "uuid": "b87bdfb5-78d1-4297-87bf-913370348ad1", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "0a042e9e-a9eb-2aa3-ab70-626e0b331c5e", "citation": "NCI", "doc_type": "NCI DRUG DICTIONARY", "public_domain": true }, { "uuid": "c8ea64c0-fe88-2427-849d-f95f2f259fce", "citation": "SMS", "doc_type": "EMA LIST", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "081f85b7-3023-4d86-ba4c-dd05c6440d90", "id": "081f85b7-3023-4d86-ba4c-dd05c6440d90", "molfile": "\n Marvin 01132100422D \n\n 1 0 0 0 0 0 999 V2000\n 8.2282 -9.5204 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 1 1 1\nM END", "smiles": "[Na+]", "formula": "Na", "atropisomerism": "No", "charge": 1, "count": 2, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 2, "units": "MOL RATIO", "uuid": "dbef7427-6c5e-4bbf-a29a-ea8cd34d85a5" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "22.9898", "optical_activity": "NONE", "stereo_centers": 0 }, { "uuid": "c69c163c-13c9-438b-a8ab-6e6b2ec45c69", "id": "c69c163c-13c9-438b-a8ab-6e6b2ec45c69", "molfile": "\n Marvin 01132110162D \n\n 52 57 0 0 0 0 999 V2000\n 16.4533 -1.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7388 -1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0243 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3099 -1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3099 -2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5954 -3.1094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8809 -2.6968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1665 -3.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1665 -3.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4520 -4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7375 -3.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7375 -3.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4520 -2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0231 -4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0231 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3086 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5941 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8797 -5.5844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1652 -5.1718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4507 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4507 -6.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7362 -6.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0217 -6.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3072 -6.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5928 -6.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5928 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8783 -5.1718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1639 -5.5844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4494 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7349 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0205 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0205 -4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7349 -3.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4494 -4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3072 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3072 -4.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0217 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7362 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7362 -4.3468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8783 -6.8218 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4658 -6.1074 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 3.2908 -7.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1639 -7.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1652 -6.8218 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5777 -6.1074 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 6.7527 -7.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8797 -7.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5941 -4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3086 -3.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0243 -3.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0243 -3.9344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7388 -2.6968 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 52 2 2 0 0 0 0\n 4 3 2 0 0 0 0\n 5 4 1 0 0 0 0\n 6 5 1 0 0 0 0\n 5 50 2 0 0 0 0\n 7 6 2 0 0 0 0\n 8 7 1 0 0 0 0\n 9 8 1 0 0 0 0\n 13 8 2 0 0 0 0\n 10 9 2 0 0 0 0\n 11 10 1 0 0 0 0\n 11 12 2 0 0 0 0\n 14 11 1 0 0 0 0\n 12 13 1 0 0 0 0\n 15 14 1 0 0 0 0\n 49 14 2 0 0 0 0\n 16 15 2 0 0 0 0\n 17 16 1 0 0 0 0\n 18 17 1 0 0 0 0\n 17 48 2 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 2 3 0 0 0\n 20 21 1 0 0 0 0\n 38 20 1 0 0 0 0\n 21 22 2 0 0 0 0\n 21 44 1 0 0 0 0\n 23 22 1 0 0 0 0\n 23 24 1 0 0 0 0\n 37 23 2 0 0 0 0\n 24 25 2 0 0 0 0\n 26 25 1 0 0 0 0\n 25 40 1 0 0 0 0\n 26 27 2 3 0 0 0\n 35 26 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 29 34 2 0 0 0 0\n 30 31 2 0 0 0 0\n 31 32 1 0 0 0 0\n 33 32 2 0 0 0 0\n 34 33 1 0 0 0 0\n 35 36 2 0 0 0 0\n 37 35 1 0 0 0 0\n 38 37 1 0 0 0 0\n 39 38 2 0 0 0 0\n 40 41 1 0 0 0 0\n 40 42 2 0 0 0 0\n 40 43 2 0 0 0 0\n 44 45 1 0 0 0 0\n 44 46 2 0 0 0 0\n 44 47 2 0 0 0 0\n 48 49 1 0 0 0 0\n 50 51 1 0 0 0 0\n 50 52 1 0 0 0 0\nM CHG 2 41 -1 45 -1\nM END", "smiles": "c1ccc(cc1)NN=c2c(cc3=c(c(=N)c(=NNc4ccc(cc4)-c5ccc(cc5)/N=N/c6ccc(cc6N)N)c(c3)S(=O)(=O)[O-])c2=O)S(=O)(=O)[O-]", "formula": "C34H25N9O7S2", "atropisomerism": "No", "charge": -2, "count": 1, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "e9611216-6621-4567-8c48-8a4c91e3b4dd" }, "defined_stereo": 0, "ez_centers": 1, "molecular_weight": "735.7519", "optical_activity": "NONE", "stereo_centers": 0 } ], "definition_level": "COMPLETE", "uuid": "5a967439-1037-4a76-bb41-d772e48ad1eb", "version": "9", "structure": { "id": "7b372593-eea0-4973-9b2c-472816a673e6", "molfile": "\n Marvin 01132106242D \n\n 54 57 0 0 0 0 999 V2000\n 5.7362 -4.3468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7362 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4507 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1652 -5.1718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8797 -5.5844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5941 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3086 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0231 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0231 -4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7375 -3.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4520 -4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1665 -3.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1665 -3.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8809 -2.6968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5954 -3.1094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3099 -2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3099 -1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0243 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7388 -1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4533 -1.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7388 -2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0243 -3.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0243 -3.9344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4520 -2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7375 -3.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3086 -3.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5941 -4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4507 -6.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1652 -6.8218 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5777 -6.1074 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 6.7527 -7.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8797 -7.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7362 -6.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0217 -6.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3072 -6.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5928 -6.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8783 -6.8218 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4658 -6.1074 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 3.2908 -7.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1639 -7.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5928 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8783 -5.1718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1639 -5.5844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4494 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7349 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0205 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0205 -4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7349 -3.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4494 -4.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3072 -5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3072 -4.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0217 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2282 -9.5204 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 8.2282 -9.5204 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 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 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 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 21 19 2 0 0 0 0\n 22 21 1 0 0 0 0\n 16 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 24 13 2 0 0 0 0\n 25 24 1 0 0 0 0\n 10 25 2 0 0 0 0\n 26 9 2 0 0 0 0\n 27 26 1 0 0 0 0\n 6 27 2 0 0 0 0\n 3 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 2 0 0 0 0\n 29 32 2 0 0 0 0\n 28 33 2 0 0 0 0\n 34 33 1 0 0 0 0\n 34 35 2 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 37 39 2 0 0 0 0\n 37 40 2 0 0 0 0\n 41 36 2 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 2 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 2 0 0 0 0\n 46 47 1 0 0 0 0\n 48 47 2 0 0 0 0\n 49 48 1 0 0 0 0\n 44 49 2 0 0 0 0\n 50 41 1 0 0 0 0\n 50 51 1 0 0 0 0\n 52 50 2 0 0 0 0\n 52 34 1 0 0 0 0\n 2 52 1 0 0 0 0\nM CHG 4 30 -1 38 -1 53 1 54 1\nM STY 1 1 MUL\nM SCN 1 1 HT \nM SAL 1 2 53 54\nM SPA 1 1 53\nM SDI 1 4 7.8082 -9.9404 7.8082 -9.1004\nM SDI 1 4 8.6482 -9.1004 8.6482 -9.9404\nM SMT 1 2\nM END", "smiles": "c1ccc(cc1)/N=N/c2c(cc3cc(c(c(c3c2O)N)/N=N/c4ccc(cc4)-c5ccc(cc5)/N=N/c6ccc(cc6N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]", "formula": "C34H25N9O7S2.2Na", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 3, "molecular_weight": "781.7314", "optical_activity": "NONE", "references": [ "cded2186-f7e2-4ed7-88a7-9ba71cc84b46", "64d4debb-636b-4a71-a2a8-24481f152dc2" ], "stereo_centers": 0 }, "unii": "C7SV16SLWM" } ] }