{ "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": "2a755253-c1c2-4ac1-bb31-929da96dfe05", "code": "3049-71-6", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=3049-71-6", "code_system": "CAS", "references": [ "0fbcf349-e038-46d6-b4aa-0c559bdb64a1", "c748f022-973f-4ac1-874e-0f0ffb8fb2b8" ] }, { "uuid": "ac785055-00eb-4b7b-8d9d-8b8d07986389", "code": "FCN NO. 118", "comments": "FCN|COLORANT|POLYMERS", "type": "PRIMARY", "url": "http://www.accessdata.fda.gov/scripts/fcn/fcnDetailNavigation.cfm?rpt=fcslisting&id=118", "code_system": "Food Contact Sustance Notif, (FCN No.)", "references": [ "0fbcf349-e038-46d6-b4aa-0c559bdb64a1" ] }, { "uuid": "cb6c982f-f3df-437d-8abb-23a8d97bdff6", "code": "221-264-5", "type": "PRIMARY", "url": "https://echa.europa.eu/substance-information/-/substanceinfo/100.019.332", "code_system": "ECHA (EC/EINECS)", "references": [ "0fbcf349-e038-46d6-b4aa-0c559bdb64a1" ] }, { "uuid": "d8d1aa92-328f-4d2e-8b86-c540aedf1864", "code": "62476", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/62476", "code_system": "PUBCHEM", "references": [ "0fbcf349-e038-46d6-b4aa-0c559bdb64a1" ] }, { "uuid": "6f67a474-ae84-ceec-2d07-5d06f5dcb11e", "code": "DTXSID1051983", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID1051983", "code_system": "EPA CompTox", "references": [ "32500a1a-90d9-c4dd-90e7-76f217aabae5" ] }, { "uuid": "1e2ff76d-6eb4-c903-b40e-7fc070296965", "code": "Pigment Red 178", "type": "PRIMARY", "url": "https://en.wikipedia.org/wiki/Pigment_Red_178", "code_system": "WIKIPEDIA", "references": [ "27d3e522-b9e8-f1a7-8d67-ac6296927e34" ] }, { "uuid": "b8f78e83-4b0e-492b-bb60-a8cd3b876eed", "code": "5RL942J1M2", "type": "PRIMARY", "code_system": "FDA UNII" } ], "substance_class": "chemical", "names": [ { "uuid": "5f00070d-b293-4dd1-8895-75219c7907a2", "name": "2,9-BIS(4-(PHENYLAZO)PHENYL)ANTHRA(2,1,9-DEF:6,5,10- D'E'F')DIISOQUINOLINE-1,3,8,10(2H,9H)-TETRONE", "stdName": "2,9-BIS(4-(PHENYLAZO)PHENYL)ANTHRA(2,1,9-DEF:6,5,10- D'E'F')DIISOQUINOLINE-1,3,8,10(2H,9H)-TETRONE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "c58a1ba3-7e16-411e-ae65-52ea67168c34", "751732d6-7aed-48df-878f-7edc4c8f3d50" ], "display_name": false }, { "uuid": "52e2031b-4f06-460e-a257-41faef75e8c8", "name": "ANTHRA(2,1,9-DEF:6,5,10-D'E'F')DIISOQUINOLINE- 1,3,8,10(2H,9H)-TETRONE, 2,9-BIS(4-(2- PHENYLDIAZENYL)PHENYL)-", "stdName": "ANTHRA(2,1,9-DEF:6,5,10-D'E'F')DIISOQUINOLINE- 1,3,8,10(2H,9H)-TETRONE, 2,9-BIS(4-(2- PHENYLDIAZENYL)PHENYL)-", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "c58a1ba3-7e16-411e-ae65-52ea67168c34", "751732d6-7aed-48df-878f-7edc4c8f3d50" ], "display_name": false }, { "uuid": "2b008f81-1908-4383-bb10-b2dce29747f1", "name": "ANTHRA(2,1,9-DEF:6,5,10-D'E'F')DIISOQUINOLINE- 1,3,8,10(2H,9H)-TETRONE, 2,9-BIS(4-(PHENYLAZO)PHENYL)-", "stdName": "ANTHRA(2,1,9-DEF:6,5,10-D'E'F')DIISOQUINOLINE- 1,3,8,10(2H,9H)-TETRONE, 2,9-BIS(4-(PHENYLAZO)PHENYL)-", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "c58a1ba3-7e16-411e-ae65-52ea67168c34", "751732d6-7aed-48df-878f-7edc4c8f3d50" ], "display_name": false }, { "uuid": "22793412-4b07-4b22-a3aa-c71c4225a4de", "name": "C.I. PIGMENT RED 178", "stdName": "C.I. PIGMENT RED 178", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "c58a1ba3-7e16-411e-ae65-52ea67168c34", "751732d6-7aed-48df-878f-7edc4c8f3d50", "0b34b2cf-49ce-4cba-ad54-b77807d1e916" ], "display_name": false }, { "uuid": "7110a3f9-a6f1-43c1-8810-3958e29ccd5c", "name": "PIGMENT RED 178", "stdName": "PIGMENT RED 178", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "15e56e9d-1020-43f1-ad2c-e67ca25b642c", "0b34b2cf-49ce-4cba-ad54-b77807d1e916" ], "display_name": true } ], "references": [ { "uuid": "15e56e9d-1020-43f1-ad2c-e67ca25b642c", "citation": "ICSAS BATCH 2010", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "c58a1ba3-7e16-411e-ae65-52ea67168c34", "citation": "CHEMID", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "751732d6-7aed-48df-878f-7edc4c8f3d50", "citation": "CHEMID", "doc_type": "CHEMID", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "0fbcf349-e038-46d6-b4aa-0c559bdb64a1", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493390923000, "tags": [ "NOMEN" ] }, { "uuid": "abdc1e27-b9f2-4bf3-80cb-365336c53466", "citation": "SRS import [5RL942J1M2]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=5RL942J1M2", "doc_type": "SRS", "public_domain": true, "document_date": 1493390923000, "tags": [ "NOMEN" ] }, { "uuid": "0e3d75a6-437b-4412-9b81-b488e618c417", "citation": "CHEMID 2010", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "32500a1a-90d9-c4dd-90e7-76f217aabae5", "citation": "WEBSITE", "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=3049-71-6", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "27d3e522-b9e8-f1a7-8d67-ac6296927e34", "citation": "WIKI", "doc_type": "WIKI", "public_domain": true }, { "uuid": "0b34b2cf-49ce-4cba-ad54-b77807d1e916", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "c748f022-973f-4ac1-874e-0f0ffb8fb2b8", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "fd7ba30b-8cba-4c98-9c52-6e3d29d2da85", "id": "fd7ba30b-8cba-4c98-9c52-6e3d29d2da85", "molfile": "\n Marvin 01132113072D \n\n 58 68 0 0 0 0 999 V2000\n 3.6290 -5.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3585 -5.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3585 -6.5515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6410 -6.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9254 -6.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2078 -6.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2078 -7.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9274 -8.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6410 -7.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4883 -8.2153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4883 -9.0426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7725 -9.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7725 -10.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0598 -10.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6588 -10.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6588 -9.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0556 -9.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0719 -6.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0719 -7.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7824 -6.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4998 -6.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2125 -6.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2125 -5.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9152 -5.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6339 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3369 -5.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3369 -4.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6251 -4.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6251 -3.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9046 -2.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2042 -3.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2042 -4.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4981 -4.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7803 -4.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0675 -4.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0675 -5.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7824 -5.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4981 -5.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9152 -4.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3291 -2.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3291 -2.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0412 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7543 -2.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4711 -3.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1830 -2.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1830 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4621 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7543 -2.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9007 -1.5885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6215 -1.9996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3345 -1.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0530 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7657 -1.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7657 -0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0416 -0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3345 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0412 -4.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7565 -4.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 2 0 0 0 0\n 3 2 1 0 0 0 0\n 36 2 1 0 0 0 0\n 4 3 1 0 0 0 0\n 3 18 1 0 0 0 0\n 4 5 1 0 0 0 0\n 9 4 2 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 10 1 0 0 0 0\n 8 9 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 13 12 1 0 0 0 0\n 12 17 2 0 0 0 0\n 14 13 2 0 0 0 0\n 15 14 1 0 0 0 0\n 16 15 2 0 0 0 0\n 17 16 1 0 0 0 0\n 18 19 2 0 0 0 0\n 18 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 37 20 2 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 38 23 2 0 0 0 0\n 24 25 1 0 0 0 0\n 39 24 2 0 0 0 0\n 25 26 2 0 0 0 0\n 26 27 1 0 0 0 0\n 28 27 2 0 0 0 0\n 27 57 1 0 0 0 0\n 28 29 1 0 0 0 0\n 39 28 1 0 0 0 0\n 29 30 2 0 0 0 0\n 40 29 1 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 2 0 0 0 0\n 32 33 1 0 0 0 0\n 32 39 1 0 0 0 0\n 33 34 2 0 0 0 0\n 38 33 1 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 1 0 0 0 0\n 40 41 2 0 0 0 0\n 42 40 1 0 0 0 0\n 42 43 1 0 0 0 0\n 57 42 1 0 0 0 0\n 43 44 1 0 0 0 0\n 48 43 2 0 0 0 0\n 44 45 2 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 2 0 0 0 0\n 46 49 1 0 0 0 0\n 47 48 1 0 0 0 0\n 49 50 2 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 56 51 2 0 0 0 0\n 52 53 2 0 0 0 0\n 53 54 1 0 0 0 0\n 54 55 2 0 0 0 0\n 55 56 1 0 0 0 0\n 57 58 2 0 0 0 0\nM END", "smiles": "c1ccc(cc1)/N=N/c2ccc(cc2)N3C(=O)c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)C3=O)c68)C(=O)N(c%10ccc(cc%10)/N=N/c%11ccccc%11)C7=O", "formula": "C48H26N6O4", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "828d4614-6af5-4232-9776-27db007fcdba" }, "defined_stereo": 0, "ez_centers": 2, "molecular_weight": "750.7596", "optical_activity": "NONE", "stereo_centers": 0 } ], "definition_level": "COMPLETE", "uuid": "b7254eca-0584-469b-9b69-89b32717495f", "version": "6", "structure": { "id": "cee2f8eb-02a6-4c84-9ffb-1eca08360359", "molfile": "\n Marvin 01132110412D \n\n 58 68 0 0 0 0 999 V2000\n 2.2078 -6.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2078 -7.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4883 -8.2153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4883 -9.0426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7725 -9.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7725 -10.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0598 -10.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6588 -10.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6588 -9.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0556 -9.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9274 -8.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6410 -7.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6410 -6.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3585 -6.5515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0719 -6.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7824 -6.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7824 -5.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0675 -5.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3585 -5.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6290 -5.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0675 -4.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7803 -4.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4981 -4.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4981 -5.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2125 -5.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9152 -5.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9152 -4.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2042 -4.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2042 -3.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9046 -2.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6251 -3.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6251 -4.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3369 -4.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3369 -5.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6339 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0412 -4.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0412 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3291 -2.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3291 -2.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7543 -2.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4711 -3.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1830 -2.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1830 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4621 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7543 -2.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9007 -1.5885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6215 -1.9996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3345 -1.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0530 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7657 -1.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7657 -0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0416 -0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3345 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7565 -4.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2125 -6.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4998 -6.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0719 -7.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9254 -6.5582 0.0000 C 0 0 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 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 6 5 1 0 0 0 0\n 7 6 2 0 0 0 0\n 8 7 1 0 0 0 0\n 9 8 2 0 0 0 0\n 10 9 1 0 0 0 0\n 5 10 2 0 0 0 0\n 2 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 1 0 0 0 0\n 15 16 1 0 0 0 0\n 17 16 2 0 0 0 0\n 18 17 1 0 0 0 0\n 18 19 1 0 0 0 0\n 14 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 21 18 2 0 0 0 0\n 22 21 1 0 0 0 0\n 23 22 2 0 0 0 0\n 24 23 1 0 0 0 0\n 17 24 1 0 0 0 0\n 24 25 2 0 0 0 0\n 25 26 1 0 0 0 0\n 27 26 2 0 0 0 0\n 28 27 1 0 0 0 0\n 28 23 1 0 0 0 0\n 29 28 2 0 0 0 0\n 30 29 1 0 0 0 0\n 31 30 2 0 0 0 0\n 32 31 1 0 0 0 0\n 27 32 1 0 0 0 0\n 32 33 2 0 0 0 0\n 34 33 1 0 0 0 0\n 35 34 2 0 0 0 0\n 26 35 1 0 0 0 0\n 33 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 31 1 0 0 0 0\n 38 39 2 0 0 0 0\n 37 40 1 0 0 0 0\n 40 41 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 2 0 0 0 0\n 45 40 1 0 0 0 0\n 43 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 2 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 2 0 0 0 0\n 51 52 1 0 0 0 0\n 52 53 2 0 0 0 0\n 53 48 1 0 0 0 0\n 36 54 2 0 0 0 0\n 55 25 1 0 0 0 0\n 56 55 2 0 0 0 0\n 16 56 1 0 0 0 0\n 15 57 2 0 0 0 0\n 13 58 2 0 0 0 0\n 58 1 1 0 0 0 0\nM END", "smiles": "c1ccc(cc1)/N=N/c2ccc(cc2)N3C(=O)c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)C3=O)c68)C(=O)N(c%10ccc(cc%10)/N=N/c%11ccccc%11)C7=O", "formula": "C48H26N6O4", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 2, "molecular_weight": "750.7596", "optical_activity": "NONE", "references": [ "0e3d75a6-437b-4412-9b81-b488e618c417", "abdc1e27-b9f2-4bf3-80cb-365336c53466", "0b34b2cf-49ce-4cba-ad54-b77807d1e916" ], "stereo_centers": 0 }, "unii": "5RL942J1M2" } ] }