{ "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": "c1327625-fc1d-43f5-8ac5-7333c765d158", "code": "55056-80-9", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=55056-80-9", "code_system": "CAS", "references": [ "9fc3b8cb-4263-4288-ae4f-63e246c13738", "cbb7d6e5-7754-4d4f-afc5-e0229d1b8cd0" ] }, { "uuid": "d1974eea-d310-4b1a-b907-dab98ca3a36b", "code": "441891", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/441891", "code_system": "PUBCHEM", "references": [ "9fc3b8cb-4263-4288-ae4f-63e246c13738" ] }, { "uuid": "68a01ad4-34f6-33cc-4151-bfedfd9639f9", "code": "Protodioscin", "type": "PRIMARY", "url": "https://en.wikipedia.org/wiki/Protodioscin", "code_system": "WIKIPEDIA", "references": [ "4611a8b2-cbc0-4658-fb55-3087ea7405ab" ] }, { "uuid": "e4d6c37f-0484-7192-67dd-67f66d6b58ae", "code": "1157 (Number of products:8)", "comments": "Dietary Supplement Label Database|Botanical|Protodioscin", "type": "PRIMARY", "url": "https://dsld.od.nih.gov/dsld/rptIngredient.jsp?grpid=1157&item=Protodioscin", "code_system": "DSLD", "references": [ "16707edf-2016-3411-5ec9-05a9ccf828e8" ] }, { "uuid": "f0c7793c-f613-4cac-b86c-105dfe5ea18e", "code": "D0LC3PH24P", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "2ae373e7-2e85-2fc1-bb04-48b4e9a11a41", "code": "8588", "type": "PRIMARY", "url": "https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:8588", "code_system": "CHEBI", "references": [ "16707edf-2016-3411-5ec9-05a9ccf828e8" ] }, { "uuid": "220e903b-8668-df13-60a3-bcff49f26314", "code": "DTXSID901021361", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID901021361", "code_system": "EPA CompTox", "references": [ "16707edf-2016-3411-5ec9-05a9ccf828e8" ] } ], "relationships": [ { "uuid": "fb5a0f9e-43c3-4c39-9c4a-c303474e9353", "type": "PARENT->CONSTITUENT ALWAYS PRESENT", "related_substance": { "uuid": "c7653a3e-bfcc-4686-a810-7acffec2938e", "refuuid": "5a26b9f9-0f16-4add-944c-6d068d18b740", "name": "FENUGREEK SEED", "unii": "654825W09Z", "linking_id": "654825W09Z", "ref_pname": "FENUGREEK SEED" } } ], "substance_class": "chemical", "names": [ { "uuid": "a28c2c6c-a0a8-497f-bd58-31935484cb54", "name": ".BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-", "stdName": ".BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a0ef2da2-541d-4e6d-a1a9-96606d14dee3", "e80bfad8-b6a8-49ae-8370-2df7b2512871" ], "display_name": false }, { "uuid": "7d67c0e1-24b7-4ba5-962c-bf19a70ba94b", "name": "26-O-.BETA.-D-GLUCOPYRANOSYL-(25R)-FUROST-5-ENE-3.BETA.,22.ALPHA.,26-TRIOL 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1-2)-(.ALPHA.-L-RHAMNOPYRANOSYL-(1-4))-.BETA.-D-GLUCOPYRANOSIDE", "stdName": "26-O-.BETA.-D-GLUCOPYRANOSYL-(25R)-FUROST-5-ENE-3.BETA.,22.ALPHA.,26-TRIOL 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1-2)-(.ALPHA.-L-RHAMNOPYRANOSYL-(1-4))-.BETA.-D-GLUCOPYRANOSIDE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a0ef2da2-541d-4e6d-a1a9-96606d14dee3", "e80bfad8-b6a8-49ae-8370-2df7b2512871" ], "display_name": false }, { "uuid": "a113931a-3a9a-45c5-93e8-36101a2ca42c", "name": "3.BETA.,22.ALPHA.,26-TRIHYDROXYFUROST-5-ENE 3-O-.BETA.-CHACOTRIOSIDE 26-O-.BETA.-D-GLUCOPYRANOSIDE", "stdName": "3.BETA.,22.ALPHA.,26-TRIHYDROXYFUROST-5-ENE 3-O-.BETA.-CHACOTRIOSIDE 26-O-.BETA.-D-GLUCOPYRANOSIDE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a0ef2da2-541d-4e6d-a1a9-96606d14dee3", "e80bfad8-b6a8-49ae-8370-2df7b2512871" ], "display_name": false }, { "uuid": "16dfdba3-4b02-4224-b390-b3b4018d694d", "name": "PROTODIOSCIN", "stdName": "PROTODIOSCIN", "type": "of", "languages": [ "en" ], "preferred": false, "references": [ "a0ef2da2-541d-4e6d-a1a9-96606d14dee3", "e80bfad8-b6a8-49ae-8370-2df7b2512871" ], "display_name": true, "domains": [ "cosmetic" ], "name_orgs": [ { "uuid": "9be6871b-75ff-4f59-9c5b-453cc4e0ff45", "name_org": "INCI" } ] }, { "uuid": "440b0596-63ff-4ac2-b6d1-210ad9289bcb", "name": "PROTODIOSCINE", "stdName": "PROTODIOSCINE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "a0ef2da2-541d-4e6d-a1a9-96606d14dee3", "e80bfad8-b6a8-49ae-8370-2df7b2512871" ], "display_name": false }, { "uuid": "e5e77a64-12ee-4cca-bedc-74a5f7381112", "name": "Protodioscin [WHO-DD]", "stdName": "PROTODIOSCIN [WHO-DD]", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "825c4453-df2e-6cc2-0a2b-89169a7a6d23" ], "display_name": false } ], "references": [ { "uuid": "e80bfad8-b6a8-49ae-8370-2df7b2512871", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "a0ef2da2-541d-4e6d-a1a9-96606d14dee3", "citation": "STN (SCIFINDER)", "doc_type": "STN (SCIFINDER)", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "9fc3b8cb-4263-4288-ae4f-63e246c13738", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391215000, "tags": [ "NOMEN" ] }, { "uuid": "e674be91-bba1-4dd1-9f90-939f909ce8c2", "citation": "SRS import [D0LC3PH24P]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=D0LC3PH24P", "doc_type": "SRS", "public_domain": true, "document_date": 1493391215000, "tags": [ "NOMEN" ] }, { "uuid": "4611a8b2-cbc0-4658-fb55-3087ea7405ab", "citation": "WIKI", "url": "https://en.wikipedia.org/wiki/Protodioscin", "doc_type": "WIKI", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "e954a859-05b9-aecd-89a1-0cb49522c548", "citation": "WHO DRUG DICTIONARY 2019", "doc_type": "WHO DRUG DICTIONARY", "public_domain": true }, { "uuid": "cbb7d6e5-7754-4d4f-afc5-e0229d1b8cd0", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "95bd4cbb-bb1b-c620-439a-8a4041eccc97", "citation": "PCPC", "doc_type": "PERSONAL CARE PRODUCTS COUNCIL", "public_domain": true }, { "uuid": "16707edf-2016-3411-5ec9-05a9ccf828e8", "doc_type": "SYSTEM", "public_domain": true }, { "uuid": "825c4453-df2e-6cc2-0a2b-89169a7a6d23", "citation": "WHO-DD", "doc_type": "WHO DRUG DICTIONARY", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "d9f430b3-d158-42bc-8e36-94c9946207f5", "id": "d9f430b3-d158-42bc-8e36-94c9946207f5", "molfile": "\n Marvin 01132111182D \n\n 73 81 0 0 1 0 999 V2000\n 23.7413 -6.9430 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 24.2262 -6.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9209 -6.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5853 -6.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7648 -6.0168 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 21.9363 -5.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7648 -6.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9802 -7.0967 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 20.4953 -7.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7107 -7.5093 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 18.9962 -7.9218 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 18.9962 -8.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2817 -9.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5673 -8.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8528 -9.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1383 -8.7468 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 16.1383 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8528 -7.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5673 -7.9218 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 17.5673 -7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2817 -7.5093 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 18.2817 -6.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9962 -6.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7107 -6.6843 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 19.7969 -5.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4953 -6.4294 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 20.9802 -5.7619 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 20.7253 -4.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4239 -9.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7094 -8.7468 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 15.2397 -8.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9576 -7.3395 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 15.4879 -6.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2058 -5.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1451 -7.1963 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 13.8630 -6.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0505 -6.2778 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 12.2380 -6.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7078 -5.7891 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 10.8953 -5.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9900 -5.0139 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 11.4596 -4.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8024 -4.8706 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 13.0846 -4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3326 -5.5026 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 14.1451 -5.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6148 -7.8282 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 12.8024 -7.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8970 -8.6035 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 13.3667 -9.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5915 -8.9533 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 11.9595 -8.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1843 -8.7052 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 10.5522 -8.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0410 -9.5176 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 10.2658 -9.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6730 -10.0480 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 11.5297 -10.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4482 -9.7657 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 13.0802 -10.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 24.0769 -7.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.8973 -7.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2329 -8.5366 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 24.7479 -9.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.0835 -9.9577 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0\n 24.5986 -10.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9341 -11.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9039 -10.0438 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 26.2395 -10.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 26.3889 -9.3765 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 27.2094 -9.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 26.0534 -8.6227 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0\n 26.5382 -7.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 1 0 0 0\n 3 1 1 0 0 0 0\n 1 61 1 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 27 5 1 0 0 0 0\n 8 7 1 1 0 0 0\n 8 9 1 0 0 0 0\n 26 8 1 0 0 0 0\n 10 9 1 1 0 0 0\n 10 11 1 0 0 0 0\n 24 10 1 0 0 0 0\n 11 12 1 6 0 0 0\n 11 21 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 19 14 1 0 0 0 0\n 15 16 1 0 0 0 0\n 17 16 1 0 0 0 0\n 16 29 1 1 0 0 0\n 18 17 1 0 0 0 0\n 19 18 1 0 0 0 0\n 19 20 1 1 0 0 0\n 21 19 1 0 0 0 0\n 21 22 1 1 0 0 0\n 23 22 1 0 0 0 0\n 24 23 1 0 0 0 0\n 24 25 1 0 0 0 0\n 26 24 1 1 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 6 0 0 0\n 30 29 1 1 0 0 0\n 30 31 1 0 0 0 0\n 49 30 1 0 0 0 0\n 32 31 1 0 0 0 0\n 32 33 1 1 0 0 0\n 35 32 1 0 0 0 0\n 33 34 1 0 0 0 0\n 35 36 1 6 0 0 0\n 35 47 1 0 0 0 0\n 37 36 1 6 0 0 0\n 37 38 1 0 0 0 0\n 45 37 1 0 0 0 0\n 39 38 1 0 0 0 0\n 39 40 1 1 0 0 0\n 41 39 1 0 0 0 0\n 41 42 1 6 0 0 0\n 41 43 1 0 0 0 0\n 43 44 1 1 0 0 0\n 43 45 1 0 0 0 0\n 45 46 1 1 0 0 0\n 47 48 1 1 0 0 0\n 47 49 1 0 0 0 0\n 49 50 1 6 0 0 0\n 51 50 1 1 0 0 0\n 51 52 1 0 0 0 0\n 59 51 1 0 0 0 0\n 53 52 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 55 57 1 0 0 0 0\n 57 58 1 6 0 0 0\n 57 59 1 0 0 0 0\n 59 60 1 6 0 0 0\n 61 62 1 0 0 0 0\n 63 62 1 1 0 0 0\n 63 64 1 0 0 0 0\n 72 63 1 0 0 0 0\n 65 64 1 0 0 0 0\n 65 66 1 1 0 0 0\n 68 65 1 0 0 0 0\n 66 67 1 0 0 0 0\n 68 69 1 6 0 0 0\n 68 70 1 0 0 0 0\n 70 71 1 1 0 0 0\n 70 72 1 0 0 0 0\n 72 73 1 6 0 0 0\nM END", "smiles": "C[C@H](CC[C@@]1([C@@H](C)[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CCC32C)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O[C@H]7[C@@H]([C@@H]([C@H]([C@H](C)O7)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@H](C)O8)O)O)O)O1)O)CO[C@H]9[C@@H]([C@H]([C@@H]([C@@H](CO)O9)O)O)O", "formula": "C51H84O22", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "51610d0e-f4e4-494a-86f9-4dd3d34e2fc9" }, "defined_stereo": 30, "ez_centers": 0, "molecular_weight": "1049.2015", "optical_activity": "UNSPECIFIED", "stereo_centers": 31 } ], "definition_level": "COMPLETE", "uuid": "1c5972df-4996-4dc0-86ca-9616effbad95", "version": "14", "structure": { "id": "daf96922-00d6-401b-8547-e33a6d2203c9", "molfile": "\n Marvin 01132111212D \n\n 81 89 0 0 1 0 999 V2000\n 19.7969 -5.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7107 -6.6843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 20.4953 -6.4294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 20.2404 -7.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9802 -5.7619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 21.7648 -6.0168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 21.9363 -5.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5853 -6.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9209 -6.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.7413 -6.9430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 24.2262 -6.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.0769 -7.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.8973 -7.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2329 -8.5366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 26.0534 -8.6227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 26.5382 -7.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 26.3889 -9.3765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 27.2094 -9.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9039 -10.0438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 26.2395 -10.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.0835 -9.9577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 24.5986 -10.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9341 -11.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7479 -9.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7648 -6.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9802 -7.0967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 21.2351 -6.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4953 -7.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7107 -7.5093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 19.7969 -8.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9962 -7.9218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 18.9962 -7.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9962 -8.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2817 -9.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5673 -8.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8528 -9.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1383 -8.7468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 15.4239 -9.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7094 -8.7468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 14.4273 -9.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2397 -8.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9576 -7.3395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 15.4879 -6.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2058 -5.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1451 -7.1963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 13.8630 -6.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0505 -6.2778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 13.0505 -7.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2380 -6.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7078 -5.7891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 10.8953 -5.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9900 -5.0139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 11.4596 -4.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8024 -4.8706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 13.0846 -4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3326 -5.5026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 14.1451 -5.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6148 -7.8282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 12.8024 -7.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8970 -8.6035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 13.3667 -9.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5915 -8.9533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 13.0039 -8.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9595 -8.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1843 -8.7052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 10.5522 -8.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0410 -9.5176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 10.2658 -9.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6730 -10.0480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 11.5297 -10.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4482 -9.7657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 13.0802 -10.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1383 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8528 -7.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5673 -7.9218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 17.5673 -7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2817 -7.5093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 18.2817 -8.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2817 -6.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9962 -6.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.7253 -4.9774 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 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 1 0 0 0\n 10 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 14 13 1 1 0 0 0\n 14 15 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 17 19 1 0 0 0 0\n 19 20 1 6 0 0 0\n 21 19 1 0 0 0 0\n 21 22 1 1 0 0 0\n 22 23 1 0 0 0 0\n 24 21 1 0 0 0 0\n 14 24 1 0 0 0 0\n 25 6 1 0 0 0 0\n 26 25 1 0 0 0 0\n 3 26 1 0 0 0 0\n 26 27 1 6 0 0 0\n 28 26 1 0 0 0 0\n 29 28 1 0 0 0 0\n 2 29 1 0 0 0 0\n 29 30 1 6 0 0 0\n 29 31 1 0 0 0 0\n 31 32 1 1 0 0 0\n 31 33 1 0 0 0 0\n 33 34 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 1 0 0 0\n 38 39 1 0 0 0 0\n 39 40 1 6 0 0 0\n 39 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 1 0 0 0\n 43 44 1 0 0 0 0\n 42 45 1 0 0 0 0\n 45 46 1 6 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 1 0 0 0\n 47 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 1 1 0 0 0\n 50 52 1 0 0 0 0\n 52 53 1 6 0 0 0\n 54 52 1 0 0 0 0\n 54 55 1 1 0 0 0\n 56 54 1 0 0 0 0\n 47 56 1 0 0 0 0\n 56 57 1 1 0 0 0\n 58 45 1 0 0 0 0\n 58 59 1 1 0 0 0\n 60 58 1 0 0 0 0\n 39 60 1 0 0 0 0\n 60 61 1 6 0 0 0\n 61 62 1 0 0 0 0\n 62 63 1 6 0 0 0\n 62 64 1 0 0 0 0\n 64 65 1 0 0 0 0\n 65 66 1 6 0 0 0\n 65 67 1 0 0 0 0\n 67 68 1 1 0 0 0\n 69 67 1 0 0 0 0\n 69 70 1 6 0 0 0\n 71 69 1 0 0 0 0\n 62 71 1 0 0 0 0\n 71 72 1 6 0 0 0\n 73 37 1 0 0 0 0\n 74 73 1 0 0 0 0\n 75 74 1 0 0 0 0\n 75 35 1 0 0 0 0\n 75 76 1 1 0 0 0\n 77 75 1 0 0 0 0\n 31 77 1 0 0 0 0\n 77 78 1 6 0 0 0\n 79 77 1 0 0 0 0\n 2 80 1 0 0 0 0\n 80 79 1 0 0 0 0\n 5 81 1 6 0 0 0\nM END", "smiles": "C[C@H](CC[C@@]1([C@@H](C)[C@@]2([H])[C@]([H])(C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@@]32C)O[C@@]6([H])[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O[C@@]7([H])[C@@H]([C@@H]([C@H]([C@H](C)O7)O)O)O)O)O[C@@]8([H])[C@@H]([C@@H]([C@H]([C@H](C)O8)O)O)O)O1)O)CO[C@H]9[C@@H]([C@H]([C@@H]([C@@H](CO)O9)O)O)O", "formula": "C51H84O22", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 31, "ez_centers": 0, "molecular_weight": "1049.2015", "optical_activity": "UNSPECIFIED", "references": [ "e80bfad8-b6a8-49ae-8370-2df7b2512871", "e674be91-bba1-4dd1-9f90-939f909ce8c2" ], "stereo_centers": 31 }, "unii": "D0LC3PH24P" } ] }