{"id":16566,"npaid":"NPA016566","original_name":"Montadial A","mol_formula":"C12H12O4","mol_weight":"220.2240","exact_mass":"220.0736","inchikey":"GYXDZVGSSXSODD-KRXBUXKQSA-N","smiles":"C/C(=C\\CC1=C(C(=CC(=C1)C=O)O)O)/C=O","cluster_id":5646,"node_id":3998,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C12H12O4/c1-8(6-13)2-3-10-4-9(7-14)5-11(15)12(10)16/h2,4-7,15-16H,3H2,1H3/b8-2+","m_plus_h":"221.0809","m_plus_na":"243.0628","origin_reference":{"doi":"10.1021/np9900876","pmid":10543907,"authors":"Sontag, Bernd; Arnold, Norbert; Steglich, Wolfgang; Anke, Timm","title":"Montadial A, a cytotoxic metabolite from Bondarzewia montana","journal":"Journal of Natural Products","year":1999,"volume":"62","issue":"10","pages":"1425-1426"},"origin_organism":{"id":5139,"type":"Fungus","genus":"Bondarzewia","species":"montana","taxon":{"id":1496,"name":"Bondarzewia","rank":"genus","taxon_db":"mycobank","external_id":"17176","ncbi_id":40421,"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":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1488,"name":"Russulales","rank":"order","taxon_db":"mycobank","external_id":"90569","ncbi_id":452342},{"id":1495,"name":"Bondarzewiaceae","rank":"family","taxon_db":"mycobank","external_id":"80527","ncbi_id":40420}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np9900876","structure_smiles":"C/C(=C\\CC1=C(C(=CC(=C1)C=O)O)O)/C=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0001814"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"C\\C(C=O)=C/CC1=C(O)C(O)=CC(C=O)=C1","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=GYXDZVGSSXSODD-KRXBUXKQSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Aldehydes","Alpha,beta-unsaturated aldehydes","Alpha,beta-unsaturated carbonyl compounds","Aryl-aldehydes","Benzaldehydes","Benzene and substituted derivatives","Benzenediols","Benzenoids","Benzoyl derivatives","Carbonyl compounds","Catechols","Chemical entities","Enals","Hydrocarbon derivatives","Hydroxybenzaldehydes","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Phenols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. 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