{"id":17662,"npaid":"NPA017662","original_name":"Ambigol C","mol_formula":"C18H8Cl6O3","mol_weight":"484.9770","exact_mass":"481.8605","inchikey":"WVDKKFQPVUPWQK-UHFFFAOYSA-N","smiles":"C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C(=C2Cl)O)Cl)OC3=C(C=C(C=C3)Cl)Cl","cluster_id":2407,"node_id":1895,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H8Cl6O3/c19-8-1-3-12(10(21)5-8)26-14-7-15(17(24)18(25)16(14)23)27-13-4-2-9(20)6-11(13)22/h1-7,25H","m_plus_h":"482.8678","m_plus_na":"504.8497","origin_reference":{"doi":"10.1021/np049640w","pmid":15787461,"authors":"Wright, Anthony D.; Papendorf, Olaf; Koenig, Gabriele M.","title":"Ambigol C and 2,4-dichlorobenzoic acid, natural products produced by the terrestrial cyanobacterium Fischerella ambigua","journal":"Journal of Natural Products","year":2005,"volume":"68","issue":"3","pages":"459-461"},"origin_organism":{"id":1011,"type":"Bacterium","genus":"Fischerella","species":"ambigua","taxon":{"id":436,"name":"Fischerella","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1190,"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":419,"name":"Nostocales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1161},{"id":435,"name":"Hapalosiphonaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1892263}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np049640w","structure_smiles":"C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C(=C2Cl)O)Cl)OC3=C(C=C(C=C3)Cl)Cl","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0005793"}],"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":"OC1=C(Cl)C(OC2=C(Cl)C=C(Cl)C=C2)=CC(OC2=C(Cl)C=C(Cl)C=C2)=C1Cl","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=WVDKKFQPVUPWQK-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-4-unsubstituted benzenoids","Aryl chlorides","Aryl halides","Benzene and substituted derivatives","Benzenoids","Chemical entities","Chlorobenzenes","Chlorophenols","Diarylethers","Dichlorobenzenes","Diphenylethers","Ethers","Halobenzenes","Halophenols","Hydrocarbon derivatives","O-chlorophenols","Organic compounds","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organooxygen compounds","Phenol ethers","Phenols","Phenoxy compounds"],"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 diphenylethers. 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