{"id":3263,"npaid":"NPA003263","original_name":"Radicicol C","mol_formula":"C18H21ClO8","mol_weight":"400.8110","exact_mass":"400.0925","inchikey":"KRODDZHZLZSLCJ-PVIHBSMPSA-N","smiles":"C[C@@H]1CC(C=CC(C(CC(=O)CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1)O)O)O","cluster_id":22,"node_id":21,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H21ClO8/c1-8-4-9(20)2-3-12(22)13(23)6-10(21)5-11-16(18(26)27-8)14(24)7-15(25)17(11)19/h2-3,7-9,12-13,20,22-25H,4-6H2,1H3/t8-,9?,12?,13?/m1/s1","m_plus_h":"401.0998","m_plus_na":"423.0817","origin_reference":{"doi":"10.1021/np400889x","pmid":24495105,"authors":"Mejia, Eric J.; Loveridge, Steven T.; Stepan, George; Tsai, Angela; Jones, Gregg S.; Barnes, Tiffany; White, Kimberly N.; Drašković, Marija; Tenney, Karen; Tsiang, Manuel; Geleziunas, Romas; Cihlar, Tomas; Pagratis, Nikos; Tian, Yang; Yu, Helen; Crews, Phillip","title":"Study of marine natural products including resorcyclic acid lactones from Humicola fuscoatra that reactivate latent HIV-1 expression in an in vitro model of central memory CD4+ T cells","journal":"Journal of Natural Products","year":2014,"volume":"77","issue":"3","pages":"618-624"},"origin_organism":{"id":880,"type":"Fungus","genus":"Humicola","species":"fuscoatra (UCSC strain no. 108111A)","taxon":{"id":1061,"name":"Humicola","rank":"genus","taxon_db":"mycobank","external_id":"8566","ncbi_id":5526,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":1050,"name":"Sordariales","rank":"order","taxon_db":"mycobank","external_id":"90499","ncbi_id":5139},{"id":1056,"name":"Chaetomiaceae","rank":"family","taxon_db":"mycobank","external_id":"80582","ncbi_id":35718}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np400889x","structure_smiles":"C[C@@H]1CC(C=CC(C(CC(=O)CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"gnps","external_db_code":"CCMSLIB00000854113%NCGC00381414-01_C18H21ClO8_1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,8,9,10-hexah%1!CCMSLIB00000854114%NCGC00381414-01_C18H21ClO8_1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,8,9,10-hexah%1"},{"external_db_name":"npmrd","external_db_code":"NP0012485"},{"external_db_name":"npmrd","external_db_code":"NP0204916"},{"external_db_name":"cmmc","external_db_code":"https://cmmc-kb.gnps2.org/structurepage/?inchikey=KRODDZHZLZSLCJ-PVIHBSMPSA-N"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000147","name":"Macrolides and analogues","chemont_id":"CHEMONTID:0000147","description":"Organic compounds containing a lactone ring of at least twelve members."},"smiles":"[H][C@@]1(C)CC([H])(O)C=CC([H])(O)C([H])(O)CC(=O)CC2=C(C(O)=CC(O)=C2Cl)C(=O)O1","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=KRODDZHZLZSLCJ-PVIHBSMPSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alcohols and polyols","Aryl chlorides","Aryl halides","Benzene and substituted derivatives","Benzenoids","Benzoic acids and derivatives","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Hydrocarbon derivatives","Hydroxybenzoic acid derivatives","Ketones","Lactones","Macrolides and analogues","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Phenols","Phenylpropanoids and polyketides","Polyols","Secondary alcohols","Vinylogous acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000261","name":"Phenylpropanoids and polyketides","chemont_id":"CHEMONTID:0000261","description":"Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["hydroxybenzoic acid (CHEBI:24676)","phenols (CHEBI:33853)","organochlorine compound (CHEBI:36683)","enone (CHEBI:51689)","enol (CHEBI:33823)","secondary alcohol (CHEBI:35681)","lactone (CHEBI:25000)","cyclic ketone (CHEBI:3992)","carboxylic ester (CHEBI:33308)","polyol (CHEBI:26191)","oxacycle (CHEBI:38104)","carbonyl compound (CHEBI:36586)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","macrolide (CHEBI:25106)","chemical entity (CHEBI:24431)","benzenoid aromatic compound (CHEBI:33836)","benzenes (CHEBI:22712)","organohalogen compound (CHEBI:36684)","haloarene (CHEBI:50887)","organooxygen compound (CHEBI:36963)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","organic heterocyclic compound (CHEBI:24532)","ketone (CHEBI:17087)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Macrolides and lactone polyketides (PK04)"]},"npclassifier":{"isglycoside":false,"class_results":["Zearalenones"],"pathway_results":["Polyketides"],"superclass_results":["Macrolides"]}}