{ "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": "8a45855b-ba5a-435c-8032-d7cab6e67f1f", "code": "66081-37-6", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=66081-37-6", "code_system": "CAS", "references": [ "6dc947cb-4ad8-4c20-9b02-dfb10e7ff9ce", "f7c622dc-0fce-44e9-95b9-2a426a9272b8" ] }, { "uuid": "c72a3b44-d4f8-4893-9791-5c8154776908", "code": "56927832", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/56927832", "code_system": "PUBCHEM", "references": [ "6dc947cb-4ad8-4c20-9b02-dfb10e7ff9ce" ] }, { "uuid": "3f88c023-2c0b-c899-2f8a-db95f21b2ff4", "code": "64245", "type": "PRIMARY", "url": "https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:64245", "code_system": "CHEBI", "references": [ "04179369-33c6-0c7f-e5e1-14e617317834" ] }, { "uuid": "adcd3f30-7c62-4cb3-a1a4-be8290afcfda", "code": "15L186IOS4", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "f4702d84-0236-a77f-fdb3-06387f3b4ca2", "code": "DTXSID50881068", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID50881068", "code_system": "EPA CompTox", "references": [ "04179369-33c6-0c7f-e5e1-14e617317834" ] } ], "relationships": [ { "uuid": "53ac48be-0445-4679-9bd6-aa85313e464d", "type": "ACTIVE MOIETY", "related_substance": { "uuid": "caea0efb-04b0-4240-bdb1-4f74a4763b87", "refuuid": "a5aec121-a059-4a8c-83d7-6340a6ce8bec", "name": "TUNICAMYCIN II", "unii": "15L186IOS4", "linking_id": "15L186IOS4", "ref_pname": "TUNICAMYCIN II", "substance_class": "reference" } } ], "substance_class": "chemical", "names": [ { "uuid": "4e3deded-89f1-4966-b759-448153ff10fd", "name": "2,4(1H,3H)-PYRIMIDINEDIONE, 1-((11S)-11-O-(2-(ACETYLAMINO)-2-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL)-6,10-DIDEOXY-10-(((2E)-12-METHYL-1-OXO-2-TRIDECEN-1-YL)AMINO)-L-GALACTO-.BETA.-D-ALLO-UNDECODIALDO-1,4-FURANOSE-11,7-PYRANOS-1-YL)-", "stdName": "2,4(1H,3H)-PYRIMIDINEDIONE, 1-((11S)-11-O-(2-(ACETYLAMINO)-2-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL)-6,10-DIDEOXY-10-(((2E)-12-METHYL-1-OXO-2-TRIDECEN-1-YL)AMINO)-L-GALACTO-.BETA.-D-ALLO-UNDECODIALDO-1,4-FURANOSE-11,7-PYRANOS-1-YL)-", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "f56cbd1c-5a0c-40b1-afbc-adacc6f22fe2", "b4707e6d-ecaa-444e-8ab6-801040272a8f" ], "display_name": false }, { "uuid": "68a6b765-c5ad-43ca-bb43-4a33ded28cb8", "name": "STREPTOVIRUDIN C2", "stdName": "STREPTOVIRUDIN C2", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "f56cbd1c-5a0c-40b1-afbc-adacc6f22fe2", "b4707e6d-ecaa-444e-8ab6-801040272a8f" ], "display_name": false }, { "uuid": "f8c86104-f0de-436d-b112-cc57c72acdbb", "name": "TUNICAMYCIN A1", "stdName": "TUNICAMYCIN A1", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "f56cbd1c-5a0c-40b1-afbc-adacc6f22fe2", "b4707e6d-ecaa-444e-8ab6-801040272a8f" ], "display_name": false }, { "uuid": "7294328a-e0c2-49b8-8952-95e3bb30c3a0", "name": "TUNICAMYCIN C", "stdName": "TUNICAMYCIN C", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "f56cbd1c-5a0c-40b1-afbc-adacc6f22fe2", "b4707e6d-ecaa-444e-8ab6-801040272a8f" ], "display_name": false }, { "uuid": "2fbdb15f-009e-4f36-ac8a-c8ca882821f2", "name": "TUNICAMYCIN II", "stdName": "TUNICAMYCIN II", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "f56cbd1c-5a0c-40b1-afbc-adacc6f22fe2", "44332b9c-28d3-403b-9bbe-bfeb1ca47ef8" ], "display_name": true } ], "references": [ { "uuid": "44332b9c-28d3-403b-9bbe-bfeb1ca47ef8", "citation": "MERCK", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "f56cbd1c-5a0c-40b1-afbc-adacc6f22fe2", "citation": "MERCK INDEX", "doc_type": "MERCK INDEX", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "b4707e6d-ecaa-444e-8ab6-801040272a8f", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "6dc947cb-4ad8-4c20-9b02-dfb10e7ff9ce", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391589000, "tags": [ "NOMEN" ] }, { "uuid": "3b2eb6d9-befb-4a8d-8312-64e79f83168a", "citation": "SRS import [15L186IOS4]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=15L186IOS4", "doc_type": "SRS", "public_domain": true, "document_date": 1493391589000, "tags": [ "NOMEN" ] }, { "uuid": "f7c622dc-0fce-44e9-95b9-2a426a9272b8", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "04179369-33c6-0c7f-e5e1-14e617317834", "doc_type": "SYSTEM", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "ba565791-a1ea-49c0-835e-b3df4ebfcf51", "id": "ba565791-a1ea-49c0-835e-b3df4ebfcf51", "molfile": "\n Marvin 01132109382D \n\n 57 60 0 0 1 0 999 V2000\n 0.4408 -8.2907 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 1.1552 -8.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4408 -7.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1552 -7.0533 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 1.1552 -6.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8697 -5.8158 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 1.8697 -4.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1552 -4.5783 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 0.3428 -4.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0606 -3.6598 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n -0.7519 -3.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0341 -2.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5909 -3.0278 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 0.3087 -2.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4034 -3.1710 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 1.9336 -2.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6855 -3.9463 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 2.4980 -4.0896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0283 -3.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8408 -3.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7461 -2.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5842 -6.2283 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 3.2987 -5.8158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0131 -6.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0131 -7.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7276 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4420 -6.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1565 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8710 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5854 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2999 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0144 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7288 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4433 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1578 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8722 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5867 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8722 -4.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5842 -7.0533 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 3.2987 -7.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8697 -7.4657 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 1.8697 -8.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2737 -8.7033 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 0.2112 -9.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2737 -10.0381 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n -0.0188 -10.8227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7882 -10.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0431 -11.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4911 -12.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7461 -13.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3159 -12.2205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5708 -11.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3778 -11.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0584 -9.7832 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n -1.7258 -10.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0584 -8.9582 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n -1.7258 -8.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 1 0 0 0\n 1 3 1 0 0 0 0\n 43 1 1 0 0 0 0\n 4 3 1 1 0 0 0\n 4 5 1 0 0 0 0\n 41 4 1 0 0 0 0\n 6 5 1 0 0 0 0\n 6 7 1 1 0 0 0\n 22 6 1 0 0 0 0\n 8 7 1 1 0 0 0\n 8 9 1 0 0 0 0\n 17 8 1 0 0 0 0\n 10 9 1 0 0 0 0\n 10 11 1 6 0 0 0\n 13 10 1 0 0 0 0\n 11 12 1 0 0 0 0\n 13 14 1 1 0 0 0\n 15 13 1 0 0 0 0\n 15 16 1 6 0 0 0\n 15 17 1 0 0 0 0\n 17 18 1 1 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 19 21 2 0 0 0 0\n 22 23 1 6 0 0 0\n 22 39 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 2 0 0 0 0\n 24 26 1 0 0 0 0\n 26 27 2 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 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 36 38 1 0 0 0 0\n 39 40 1 1 0 0 0\n 39 41 1 0 0 0 0\n 41 42 1 1 0 0 0\n 43 44 1 1 0 0 0\n 56 43 1 0 0 0 0\n 45 44 1 1 0 0 0\n 45 46 1 0 0 0 0\n 54 45 1 0 0 0 0\n 46 47 1 0 0 0 0\n 46 52 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 51 49 1 0 0 0 0\n 52 51 1 0 0 0 0\n 52 53 2 0 0 0 0\n 54 55 1 6 0 0 0\n 56 54 1 0 0 0 0\n 56 57 1 6 0 0 0\nM END", "smiles": "CC(C)CCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@@H](C[C@H]([C@@H]2[C@H]([C@H]([C@H](n3ccc(=O)[nH]c3=O)O2)O)O)O)O[C@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)NC(=O)C)O)O", "formula": "C37H60N4O16", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "cd882c1e-fc86-43d5-ac80-918764d7adc2" }, "defined_stereo": 15, "ez_centers": 1, "molecular_weight": "816.891", "optical_activity": "UNSPECIFIED", "stereo_centers": 15 } ], "definition_level": "COMPLETE", "uuid": "a5aec121-a059-4a8c-83d7-6340a6ce8bec", "version": "4", "structure": { "id": "15528b34-aead-46f9-a50e-ec1a508463d7", "molfile": "\n Marvin 01132101182D \n\n 59 62 0 0 1 0 999 V2000\n 1.8697 -4.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8697 -5.8158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.1552 -6.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1552 -7.0533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.4408 -7.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4408 -8.2907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.2737 -8.7033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.6093 -7.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0584 -8.9582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -1.7258 -8.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0584 -9.7832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -1.7258 -10.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2737 -10.0381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.0188 -10.8227 0.0000 N 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7882 -10.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0431 -11.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4911 -12.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7461 -13.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3159 -12.2205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5708 -11.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3778 -11.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2112 -9.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1552 -8.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8697 -7.4657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.8697 -8.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5842 -7.0533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.2987 -7.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5842 -6.2283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.2987 -5.8158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0131 -6.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0131 -7.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7276 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4420 -6.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1565 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8710 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5854 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2999 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0144 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7288 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4433 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1578 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8722 -5.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5867 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8722 -4.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1552 -4.5783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.8731 -5.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3428 -4.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0606 -3.6598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7519 -3.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0341 -2.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5909 -3.0278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.3087 -2.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4034 -3.1710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9336 -2.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6855 -3.9463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4980 -4.0896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0283 -3.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7461 -2.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8408 -3.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 1 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 6 0 0 0\n 13 11 1 0 0 0 0\n 13 14 1 1 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 19 17 1 0 0 0 0\n 20 19 1 0 0 0 0\n 20 21 2 0 0 0 0\n 14 20 1 0 0 0 0\n 22 13 1 0 0 0 0\n 7 22 1 0 0 0 0\n 6 23 1 1 0 0 0\n 4 24 1 0 0 0 0\n 24 25 1 1 0 0 0\n 26 24 1 0 0 0 0\n 26 27 1 1 0 0 0\n 28 26 1 0 0 0 0\n 28 29 1 6 0 0 0\n 29 30 1 0 0 0 0\n 30 31 2 0 0 0 0\n 30 32 1 0 0 0 0\n 32 33 2 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 1 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 38 39 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 42 44 1 0 0 0 0\n 2 28 1 0 0 0 0\n 1 45 1 0 0 0 0\n 45 46 1 6 0 0 0\n 45 47 1 0 0 0 0\n 47 48 1 0 0 0 0\n 48 49 1 6 0 0 0\n 49 50 1 0 0 0 0\n 48 51 1 0 0 0 0\n 51 52 1 1 0 0 0\n 53 51 1 0 0 0 0\n 53 54 1 6 0 0 0\n 55 53 1 0 0 0 0\n 55 56 1 1 0 0 0\n 56 57 1 0 0 0 0\n 57 58 2 0 0 0 0\n 57 59 1 0 0 0 0\n 45 55 1 0 0 0 0\nM END", "smiles": "CC(C)CCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@@H](C[C@H]([C@]2([H])[C@H]([C@H]([C@H](n3ccc(=O)[nH]c3=O)O2)O)O)O)O[C@H]1O[C@]4([H])[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)NC(=O)C)O)O", "formula": "C37H60N4O16", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 15, "ez_centers": 1, "molecular_weight": "816.891", "optical_activity": "UNSPECIFIED", "references": [ "3b2eb6d9-befb-4a8d-8312-64e79f83168a", "44332b9c-28d3-403b-9bbe-bfeb1ca47ef8" ], "stereo_centers": 15 }, "unii": "15L186IOS4" } ] }