{ "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": "f4717363-e622-42d5-9859-97d2f40e13b3", "code": "2610-10-8", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=2610-10-8", "code_system": "CAS", "references": [ "216909ab-f2ae-4576-b6c7-01d33d205bf6", "0a61c454-84b3-4aba-b668-6890bdeacea7" ] }, { "uuid": "bc0d717e-3c78-4dd7-a62d-e2c882286a5a", "code": "220-027-3", "type": "PRIMARY", "url": "https://echa.europa.eu/substance-information/-/substanceinfo/100.018.208", "code_system": "ECHA (EC/EINECS)", "references": [ "216909ab-f2ae-4576-b6c7-01d33d205bf6" ] }, { "uuid": "290aa9b4-2870-479a-8cff-704e08031025", "code": "m9956", "comments": "Merck Index", "type": "PRIMARY", "url": "https://merckindex.rsc.org/monographs/m9956?q=authorize", "code_system": "MERCK INDEX", "references": [ "216909ab-f2ae-4576-b6c7-01d33d205bf6" ] }, { "uuid": "2706d67e-0671-c1b3-9051-a96adfb794b6", "code": "DTXSID8044628", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044628", "code_system": "EPA CompTox", "references": [ "95147f57-c217-9956-d237-b580aecb1254" ] }, { "uuid": "ba2c9ed4-f8ab-c368-ab3d-4cbf687032ac", "code": "88279", "type": "PRIMARY", "url": "https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:88279", "code_system": "CHEBI", "references": [ "7a202299-c767-b435-53ce-aecae8869366" ] }, { "uuid": "85e51b7c-079a-4902-b0da-8890fc7684cd", "code": "1294D5G72N", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "7869ca42-1833-b8f2-6244-d81adbfc2618", "code": "Sirius Red", "type": "PRIMARY", "url": "https://en.wikipedia.org/wiki/Sirius_Red", "code_system": "WIKIPEDIA", "references": [ "455f0adc-41c0-784d-604d-c9ccb11b88a6" ] } ], "relationships": [ { "uuid": "afc416a8-4c7b-4449-ba65-1f5e4179b5ba", "type": "PARENT->SALT/SOLVATE", "related_substance": { "uuid": "4980b368-f732-42cc-b467-4ec347d2929d", "refuuid": "db911759-77df-4c9f-83a0-69b6adf1dfb6", "name": "DIRECT RED 80 FREE ACID", "unii": "29AND524MI", "linking_id": "29AND524MI", "ref_pname": "DIRECT RED 80 FREE ACID", "substance_class": "reference" } } ], "substance_class": "chemical", "names": [ { "uuid": "0d45e629-759f-46d3-82c9-d9d06af25523", "name": "2-NAPHTHALENESULFONIC ACID, 7,7'-(CARBONYLDIIMINO)BIS(4-HYDROXY-3-((2-SULFO-4-((4-SULFOPHENYL)AZO)PHENYL)AZO)-, HEXASODIUM SALT", "stdName": "2-NAPHTHALENESULFONIC ACID, 7,7'-(CARBONYLDIIMINO)BIS(4-HYDROXY-3-((2-SULFO-4-((4-SULFOPHENYL)AZO)PHENYL)AZO)-, HEXASODIUM SALT", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "5730ca05-7901-4cc7-bbd1-1cc3940740aa", "3b2b88ce-ef3d-4878-8684-9adcb5545fb0" ], "display_name": false }, { "uuid": "a3815490-3d96-4af9-80f4-fc65e1f81566", "name": "2-NAPHTHALENESULFONIC ACID, 7,7'-(CARBONYLDIIMINO)BIS(4-HYDROXY-3-(2-(2-SULFO-4-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)DIAZENYL)-, SODIUM SALT (1:6)", "stdName": "2-NAPHTHALENESULFONIC ACID, 7,7'-(CARBONYLDIIMINO)BIS(4-HYDROXY-3-(2-(2-SULFO-4-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)DIAZENYL)-, SODIUM SALT (1:6)", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "5730ca05-7901-4cc7-bbd1-1cc3940740aa", "3b2b88ce-ef3d-4878-8684-9adcb5545fb0" ], "display_name": false }, { "uuid": "37b0456b-6643-4050-927f-4a29465e9a36", "name": "C.I. DIRECT RED 80", "stdName": "C.I. DIRECT RED 80", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "d9d213e3-4048-492b-90a4-f960fbf834c5" ], "display_name": false }, { "uuid": "3e618c43-1328-4fd4-ae0d-bb48d8e5ba19", "name": "C.I. DIRECT RED 80, HEXASODIUM SALT", "stdName": "C.I. DIRECT RED 80, HEXASODIUM SALT", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "5730ca05-7901-4cc7-bbd1-1cc3940740aa", "3b2b88ce-ef3d-4878-8684-9adcb5545fb0" ], "display_name": false }, { "uuid": "75f8177f-f3c0-46c7-90f5-35601cfc94f8", "name": "CI 35780", "stdName": "CI 35780", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "fccd1bb1-95e1-42bf-a4ae-779309bc3b6b", "3b2b88ce-ef3d-4878-8684-9adcb5545fb0" ], "display_name": false }, { "uuid": "1aca2ab4-020f-4415-b132-b053b525f855", "name": "DIAZOL LIGHT RED 3B", "stdName": "DIAZOL LIGHT RED 3B", "type": "bn", "languages": [ "en" ], "preferred": false, "references": [ "5730ca05-7901-4cc7-bbd1-1cc3940740aa", "3b2b88ce-ef3d-4878-8684-9adcb5545fb0" ], "display_name": false }, { "uuid": "24b2abc6-abd3-479e-aba4-69117c96e90b", "name": "DIRECT RED 80", "stdName": "DIRECT RED 80", "type": "of", "languages": [ "en" ], "preferred": false, "references": [ "fccd1bb1-95e1-42bf-a4ae-779309bc3b6b", "3b2b88ce-ef3d-4878-8684-9adcb5545fb0", "348620d6-df70-472c-83c9-235afb4bdb6c" ], "display_name": true, "domains": [ "cosmetic" ], "name_orgs": [ { "uuid": "0e053a51-f1b9-45e7-b1f2-8080fb3cd6bf", "name_org": "INCI" } ] }, { "uuid": "91be523c-0693-4504-8ea8-b48b2447e6fb", "name": "DURAZOL BRILLANT RED BS", "stdName": "DURAZOL BRILLANT RED BS", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "fccd1bb1-95e1-42bf-a4ae-779309bc3b6b", "3b2b88ce-ef3d-4878-8684-9adcb5545fb0" ], "display_name": false }, { "uuid": "97c8394f-15c3-40c1-a6c3-9663ca3e1fe1", "name": "HEXASODIUM 7,7'-(CARBONYLDIIMINO)BIS(4-HYDROXY-3-((2-SULPHONATO-4-((4-SULPHONATOPHENYL)AZO)PHENYL)AZO)NAPHTHALENE-2-SULPHONATE)", "stdName": "HEXASODIUM 7,7'-(CARBONYLDIIMINO)BIS(4-HYDROXY-3-((2-SULPHONATO-4-((4-SULPHONATOPHENYL)AZO)PHENYL)AZO)NAPHTHALENE-2-SULPHONATE)", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "3b2b88ce-ef3d-4878-8684-9adcb5545fb0", "c2335fa9-404f-41de-a867-ea4d30065a71" ], "display_name": false }, { "uuid": "69ebe636-5125-4bd1-bf71-c21468e17e03", "name": "SIRIUS RED F 3B", "stdName": "SIRIUS RED F 3B", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "fccd1bb1-95e1-42bf-a4ae-779309bc3b6b", "3b2b88ce-ef3d-4878-8684-9adcb5545fb0" ], "display_name": false }, { "uuid": "bd1f9d46-0759-49ff-ab3d-61728243ded1", "name": "SIRIUS RED F 3BA", "stdName": "SIRIUS RED F 3BA", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "fccd1bb1-95e1-42bf-a4ae-779309bc3b6b", "3b2b88ce-ef3d-4878-8684-9adcb5545fb0" ], "display_name": false }, { "uuid": "9c0cb569-ded5-4133-8d09-ce1bb74ae906", "name": "SIRIUS RED [MI]", "stdName": "SIRIUS RED [MI]", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "3b2b88ce-ef3d-4878-8684-9adcb5545fb0", "87f58155-4612-4ffe-8542-eadf77512e12" ], "display_name": false } ], "references": [ { "uuid": "d9d213e3-4048-492b-90a4-f960fbf834c5", "citation": "CHEMID 2011", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "87f58155-4612-4ffe-8542-eadf77512e12", "citation": "MERCK INDEX", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "3b2b88ce-ef3d-4878-8684-9adcb5545fb0", "citation": "MERCK INDEX", "doc_type": "MERCK INDEX", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "fccd1bb1-95e1-42bf-a4ae-779309bc3b6b", "citation": "PCPC-DB", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "5730ca05-7901-4cc7-bbd1-1cc3940740aa", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "c2335fa9-404f-41de-a867-ea4d30065a71", "citation": "http://echa.europa.eu/substance-information/-/substanceinfo/100.018.208", "url": "http://echa.europa.eu/substance-information/-/substanceinfo/100.018.208", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "216909ab-f2ae-4576-b6c7-01d33d205bf6", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391108000, "tags": [ "NOMEN" ] }, { "uuid": "868ef925-8be8-4d5b-9acc-db6e0a5b8b94", "citation": "SRS import [1294D5G72N]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=1294D5G72N", "doc_type": "SRS", "public_domain": true, "document_date": 1493391108000, "tags": [ "NOMEN" ] }, { "uuid": "e95fbf38-d46c-4cc0-8462-eb11c0df824c", "citation": "CHEMID 2011", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "348620d6-df70-472c-83c9-235afb4bdb6c", "citation": "DIRECT RED 80 [INCI]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "95147f57-c217-9956-d237-b580aecb1254", "citation": "WEBSITE", "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=2610-10-8", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "455f0adc-41c0-784d-604d-c9ccb11b88a6", "citation": "WIKI", "doc_type": "WIKI", "public_domain": true }, { "uuid": "0a61c454-84b3-4aba-b668-6890bdeacea7", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "7a202299-c767-b435-53ce-aecae8869366", "doc_type": "SYSTEM", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "e9601f79-dda0-4ffc-9a34-f752e48dba05", "id": "e9601f79-dda0-4ffc-9a34-f752e48dba05", "molfile": "\n Marvin 01132112042D \n\n 1 0 0 0 0 0 999 V2000\n 6.5946 -14.7915 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": 6, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 6, "units": "MOL RATIO", "uuid": "ddbd65f9-774a-4ad0-a94b-e69366afaf20" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "22.9898", "optical_activity": "NONE", "stereo_centers": 0 }, { "uuid": "1a6ce116-c6df-4afc-a184-1a28929f7f39", "id": "1a6ce116-c6df-4afc-a184-1a28929f7f39", "molfile": "\n Marvin 01132101332D \n\n 82 89 0 0 0 0 999 V2000\n 4.7814 -6.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0706 -6.5170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4831 -7.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6582 -5.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3598 -6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3598 -7.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6488 -8.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6488 -9.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9396 -9.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9396 -10.2397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6537 -10.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6537 -11.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3684 -10.2374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0809 -10.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7949 -10.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5044 -10.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5044 -11.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2248 -11.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9261 -11.4592 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 6.2248 -12.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9423 -13.1075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6473 -12.6895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3649 -13.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3649 -13.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0924 -14.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7979 -13.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7979 -13.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0642 -12.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0642 -11.8454 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0642 -11.0180 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 8.2413 -11.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8872 -11.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5141 -14.3119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5141 -15.1394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2311 -15.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2311 -16.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9546 -16.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6613 -16.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6613 -15.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9426 -15.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3763 -16.7668 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0912 -17.1813 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 13.7814 -16.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9711 -17.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5229 -13.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7969 -12.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7969 -11.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0809 -11.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5229 -13.9540 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5229 -14.7815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7046 -13.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3504 -13.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2284 -9.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2284 -8.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9396 -7.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9396 -6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2320 -6.5195 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 2.6488 -6.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6488 -5.6950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9305 -5.2813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9305 -4.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6385 -4.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6385 -3.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9240 -2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2151 -3.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2151 -4.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5044 -4.4497 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2063 -4.8666 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0966 -3.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9168 -5.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9240 -1.9783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6261 -1.5577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6261 -0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3371 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3371 0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6177 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9101 0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9101 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6177 1.7546 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6177 2.5822 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.7948 1.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4407 1.7546 0.0000 O 0 0 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 2 4 2 0 0 0 0\n 2 5 1 0 0 0 0\n 6 5 1 0 0 0 0\n 5 58 2 0 0 0 0\n 7 6 2 0 0 0 0\n 8 7 1 0 0 0 0\n 7 55 1 0 0 0 0\n 9 8 2 0 0 0 0\n 9 10 1 0 0 0 0\n 53 9 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 48 14 2 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 18 17 1 0 0 0 0\n 17 47 2 0 0 0 0\n 18 19 1 0 0 0 0\n 20 18 2 0 0 0 0\n 20 21 1 0 0 0 0\n 45 20 1 0 0 0 0\n 21 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 28 23 2 0 0 0 0\n 24 25 2 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 2 0 0 0 0\n 26 33 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 31 2 0 0 0 0\n 29 32 2 0 0 0 0\n 33 34 2 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 40 35 2 0 0 0 0\n 36 37 2 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 38 41 1 0 0 0 0\n 39 40 1 0 0 0 0\n 41 42 1 0 0 0 0\n 41 43 2 0 0 0 0\n 41 44 2 0 0 0 0\n 46 45 2 0 0 0 0\n 45 49 1 0 0 0 0\n 47 46 1 0 0 0 0\n 47 48 1 0 0 0 0\n 49 50 1 0 0 0 0\n 49 51 2 0 0 0 0\n 49 52 2 0 0 0 0\n 54 53 2 0 0 0 0\n 55 54 1 0 0 0 0\n 56 55 2 0 0 0 0\n 56 57 1 0 0 0 0\n 58 56 1 0 0 0 0\n 58 59 1 0 0 0 0\n 59 60 2 0 0 0 0\n 60 61 1 0 0 0 0\n 62 61 1 0 0 0 0\n 61 66 2 0 0 0 0\n 63 62 2 0 0 0 0\n 64 63 1 0 0 0 0\n 65 64 2 0 0 0 0\n 64 71 1 0 0 0 0\n 66 65 1 0 0 0 0\n 66 67 1 0 0 0 0\n 67 68 1 0 0 0 0\n 67 69 2 0 0 0 0\n 67 70 2 0 0 0 0\n 71 72 2 0 0 0 0\n 72 73 1 0 0 0 0\n 73 74 1 0 0 0 0\n 78 73 2 0 0 0 0\n 74 75 2 0 0 0 0\n 75 76 1 0 0 0 0\n 76 77 2 0 0 0 0\n 76 79 1 0 0 0 0\n 77 78 1 0 0 0 0\n 79 80 1 0 0 0 0\n 79 81 2 0 0 0 0\n 79 82 2 0 0 0 0\nM CHG 6 19 -1 30 -1 42 -1 57 -1 68 -1 80 -1\nM END", "smiles": "c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)[O-])/N=N/c3c(cc4cc(ccc4c3[O-])NC(=O)Nc5ccc6c(c5)cc(c(c6[O-])/N=N/c7ccc(cc7S(=O)(=O)[O-])/N=N/c8ccc(cc8)S(=O)(=O)[O-])S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-]", "formula": "C45H26N10O21S6", "atropisomerism": "No", "charge": -6, "count": 1, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "489c3955-686c-4e85-a5e0-173b6fb8f6f4" }, "defined_stereo": 0, "ez_centers": 4, "molecular_weight": "1235.1406", "optical_activity": "NONE", "stereo_centers": 0 } ], "definition_level": "COMPLETE", "uuid": "96efd44f-d37c-4cdc-936d-f174077f8fbc", "version": "6", "structure": { "id": "58db87ff-462c-4d5f-a3aa-21b6e670b01c", "molfile": "\n Marvin 01132104372D \n\n 88 89 0 0 0 0 999 V2000\n 6.5946 -14.7915 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 10.1823 -10.7092 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 14.9860 -17.1633 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 4.7814 -6.1045 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 4.0706 -6.5170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4831 -7.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6582 -5.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3598 -6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6488 -6.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9396 -6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9396 -7.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2284 -8.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2284 -9.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9396 -9.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6488 -9.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6488 -8.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3598 -7.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9396 -10.2397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6537 -10.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6537 -11.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3684 -10.2374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0809 -10.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7949 -10.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5044 -10.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5044 -11.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7969 -11.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0809 -11.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7969 -12.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5229 -13.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2248 -12.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2248 -11.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9261 -11.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9423 -13.1075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6473 -12.6895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3649 -13.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3649 -13.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0924 -14.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7979 -13.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7979 -13.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0642 -12.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0642 -11.8454 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2413 -11.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8872 -11.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0642 -11.0180 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 10.5141 -14.3119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5141 -15.1394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2311 -15.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2311 -16.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9546 -16.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6613 -16.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6613 -15.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9426 -15.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3763 -16.7668 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7814 -16.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9711 -17.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0912 -17.1813 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 5.5229 -13.9540 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7046 -13.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3504 -13.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5229 -14.7815 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.2320 -6.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6488 -5.6950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9305 -5.2813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9305 -4.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2151 -4.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2151 -3.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9240 -2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6385 -3.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6385 -4.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9240 -1.9783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6261 -1.5577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6261 -0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3371 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3371 0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6177 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9101 0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9101 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6177 1.7546 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7948 1.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4407 1.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6177 2.5822 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.5044 -4.4497 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0966 -3.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9168 -5.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2063 -4.8666 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 3.6310 2.6385 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n -1.0801 -4.8744 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 5.4758 -5.9378 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 2 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 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 11 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 8 1 0 0 0 0\n 14 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 19 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 2 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 2 0 0 0 0\n 27 22 1 0 0 0 0\n 26 28 1 0 0 0 0\n 28 29 2 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 2 0 0 0 0\n 31 25 1 0 0 0 0\n 31 32 1 0 0 0 0\n 30 33 1 0 0 0 0\n 33 34 2 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 2 0 0 0 0\n 36 37 1 0 0 0 0\n 37 38 2 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 2 0 0 0 0\n 40 35 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 2 0 0 0 0\n 41 43 2 0 0 0 0\n 41 44 1 0 0 0 0\n 38 45 1 0 0 0 0\n 45 46 2 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 2 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 2 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 2 0 0 0 0\n 52 47 1 0 0 0 0\n 50 53 1 0 0 0 0\n 53 54 2 0 0 0 0\n 53 55 2 0 0 0 0\n 53 56 1 0 0 0 0\n 29 57 1 0 0 0 0\n 57 58 2 0 0 0 0\n 57 59 2 0 0 0 0\n 57 60 1 0 0 0 0\n 10 61 1 0 0 0 0\n 9 62 1 0 0 0 0\n 62 63 2 0 0 0 0\n 63 64 1 0 0 0 0\n 64 65 2 0 0 0 0\n 65 66 1 0 0 0 0\n 66 67 2 0 0 0 0\n 67 68 1 0 0 0 0\n 68 69 2 0 0 0 0\n 69 64 1 0 0 0 0\n 67 70 1 0 0 0 0\n 70 71 2 0 0 0 0\n 71 72 1 0 0 0 0\n 72 73 2 0 0 0 0\n 73 74 1 0 0 0 0\n 74 75 2 0 0 0 0\n 75 76 1 0 0 0 0\n 76 77 2 0 0 0 0\n 77 72 1 0 0 0 0\n 75 78 1 0 0 0 0\n 78 79 2 0 0 0 0\n 78 80 2 0 0 0 0\n 78 81 1 0 0 0 0\n 65 82 1 0 0 0 0\n 82 83 2 0 0 0 0\n 82 84 2 0 0 0 0\n 82 85 1 0 0 0 0\nM CHG 8 1 1 2 1 3 1 4 -1 44 -1 56 -1 60 -1 81 -1\nM CHG 4 85 -1 86 1 87 1 88 1\nM END", "smiles": "c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)[O-])/N=N/c3c(cc4cc(ccc4c3O)NC(=O)Nc5ccc6c(c5)cc(c(c6O)/N=N/c7ccc(cc7S(=O)(=O)[O-])/N=N/c8ccc(cc8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]", "formula": "C45H26N10O21S6.6Na", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 4, "molecular_weight": "1373.0792", "optical_activity": "NONE", "references": [ "868ef925-8be8-4d5b-9acc-db6e0a5b8b94", "e95fbf38-d46c-4cc0-8462-eb11c0df824c" ], "stereo_centers": 0 }, "unii": "1294D5G72N" } ] }