{"id":14746,"npaid":"NPA014746","original_name":"Alternethanoxin C","mol_formula":"C16H16O8","mol_weight":"336.2960","exact_mass":"336.0845","inchikey":"IRLJZPKHKXIDBY-UHFFFAOYSA-N","smiles":"CC(=O)C1=CC(=C(C(=C1O)C2=C(C=CC(=C2C(O)O)OC)O)O)O","cluster_id":5222,"node_id":11,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C16H16O8/c1-6(17)7-5-9(19)15(21)13(14(7)20)11-8(18)3-4-10(24-2)12(11)16(22)23/h3-5,16,18-23H,1-2H3","m_plus_h":"337.0918","m_plus_na":"359.0737","origin_reference":{"doi":"10.1021/jf5054595","pmid":25623801,"authors":"Berestetskiy, Alexander; Cimmino, Alessio; Sofronova, Julia; Dalinova, Anna; Avolio, Fabiana; Evidente, Marco; Chisty, Leonid; Krivorotov, Denis; Evidente, Antonio","title":"Alternethanoxins C-E, further polycyclic ethanones produced by Alternaria sonchi, a potential mycoherbicide for Sonchus arvensis biocontrol","journal":"Journal of Agricultural and Food Chemistry","year":2015,"volume":"63","issue":"4","pages":"1196-1199"},"origin_organism":{"id":4079,"type":"Fungus","genus":"Alternaria","species":"sonchi","taxon":{"id":649,"name":"Alternaria","rank":"genus","taxon_db":"mycobank","external_id":"7106","ncbi_id":5598,"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":618,"name":"Dothideomycetes","rank":"class","taxon_db":"mycobank","external_id":"501481","ncbi_id":147541},{"id":645,"name":"Pleosporales","rank":"order","taxon_db":"mycobank","external_id":"90563","ncbi_id":92860},{"id":648,"name":"Pleosporaceae","rank":"family","taxon_db":"mycobank","external_id":"81188","ncbi_id":28556}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/jf5054595","structure_smiles":"CC(=O)C1=CC(=C(C(=C1O)C2=C(C=CC(=C2C(O)O)OC)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013767"}],"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":"COC1=C(C(O)O)C(=C(O)C=C1)C1=C(O)C(=CC(O)=C1O)C(C)=O","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=IRLJZPKHKXIDBY-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000325","name":"Biphenols","chemont_id":"CHEMONTID:0000325","description":"Organic compounds containing two phenol groups linked together by a C-C bond."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","4-alkoxyphenols","Acetophenones","Alcohols and polyols","Alkyl aryl ethers","Alkyl-phenylketones","Anisoles","Aromatic alcohols","Aryl alkyl ketones","Aryl ketones","Benzene and substituted derivatives","Benzenetriols and derivatives","Benzenoids","Benzoyl derivatives","Biphenols","Biphenyls and derivatives","Carbonyl compounds","Chemical entities","Ethers","Hydrocarbon derivatives","Hydroxyquinols and derivatives","Ketones","Methoxybenzenes","Methoxyphenols","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Phenol ethers","Phenols","Phenoxy compounds","Phenylketones","Polyols","Vinylogous acids"],"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 biphenols. 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