{"id":35519,"npaid":"NPA035519","original_name":"Bromoiesol B","mol_formula":"C18H7Br6IO3","mol_weight":"877.5790","exact_mass":"871.4540","inchikey":"ZHBKCOIQXVKQEB-UHFFFAOYSA-N","smiles":"OC1=C(OC2=CC(Br)=C(Br)C(Br)=C2OC2=C(I)C=C(Br)C=C2)C(Br)=CC(Br)=C1","cluster_id":1203,"node_id":1023,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H7Br6IO3/c19-7-1-2-13(11(25)4-7)27-18-14(6-9(21)15(23)16(18)24)28-17-10(22)3-8(20)5-12(17)26/h1-6,26H","m_plus_h":"872.4613","m_plus_na":"894.4432","origin_reference":{"doi":"10.1021/acs.joc.1c01214","pmid":34479407,"authors":"Ebihara, Akira; Iwasaki, Arihiro; Miura, Youhei; Jeelani, Ghulam; Nozaki, Tomoyoshi; Suenaga, Kiyotake","title":"Isolation and Total Synthesis of Bromoiesol sulfates, Antitrypanosomal arylethers from a Salileptolyngbya sp. Marine Cyanobacterium.","journal":"Journal of Organic Chemistry","year":2021,"volume":"86","issue":"17","pages":"11763-11770"},"origin_organism":{"id":11265,"type":"Bacterium","genus":"Salileptolyngbya","species":"sp.","taxon":{"id":1993,"name":"Salileptolyngbya","rank":"genus","taxon_db":"lpsn","external_id":"6383","ncbi_id":null,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":417,"name":"Cyanobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1117},{"id":418,"name":"Cyanophyceae","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":1991,"name":"Nodosilineales","rank":"order","taxon_db":"lpsn","external_id":"37594","ncbi_id":null},{"id":1992,"name":"Nodosilineaceae","rank":"family","taxon_db":"lpsn","external_id":"37556","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.joc.1c01214","structure_smiles":"OC1=C(OC2=CC(Br)=C(Br)C(Br)=C2OC2=C(I)C=C(Br)C=C2)C(Br)=CC(Br)=C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002279","name":"Benzene and substituted derivatives","chemont_id":"CHEMONTID:0002279","description":"Aromatic compounds containing one monocyclic ring system consisting of benzene."},"smiles":"Oc1cc(Br)cc(Br)c1Oc1cc(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1I","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=ZHBKCOIQXVKQEB-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004155","name":"Diphenylethers","chemont_id":"CHEMONTID:0004155","description":"Aromatic compounds containing two benzene rings linked to each other through an ether group."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Benzene and substituted derivatives","Benzenoids","Bromobenzenes","Bromodiphenyl ethers","Bromophenols","Chemical entities","Diphenylethers","Ethers","Halobenzenes","Halophenols","Hydrocarbon derivatives","Iodobenzenes","M-bromophenols","Organic compounds","Organic oxygen compounds","Organobromides","Organohalogen compounds","Organoiodides","Organooxygen compounds","Phenol ethers","Phenols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},"description":"This compound belongs to the class of organic compounds known as bromodiphenyl ethers. 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