{"id":33322,"npaid":"NPA033322","original_name":"Pulcherrimin","mol_formula":"C12H22Fe2N2O4+2","mol_weight":"370.0080","exact_mass":"370.0267","inchikey":"PMIFRQOTQQDTGH-UHFFFAOYSA-P","smiles":"CC(C)CC1=C(O)[N+](O)=C(CC(C)C)C(O)=[N+]1O.[Fe].[Fe]","cluster_id":9594,"node_id":3362,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C12H20N2O4.2Fe/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17;;/h7-8,17H,5-6H2,1-4H3,(H-,15,16,18);;/p+2","m_plus_h":"371.0340","m_plus_na":"393.0159","origin_reference":{"doi":"10.1073/pnas.39.7.583","pmid":16589308,"authors":"Kluyver et al.","title":"Pulcherrimin, The Pigment of Candida Pulcherrima","journal":"Proceedings of the National Academy of Sciences of the United States of America","year":1953,"volume":"39","issue":"nan","pages":"583-588"},"origin_organism":{"id":4426,"type":"Fungus","genus":"Candida","species":"pulcherrima","taxon":{"id":1321,"name":"Candida","rank":"genus","taxon_db":"mycobank","external_id":"7487","ncbi_id":5475,"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":1319,"name":"Saccharomycetes","rank":"class","taxon_db":"mycobank","external_id":"90791","ncbi_id":4891},{"id":1320,"name":"Saccharomycetales","rank":"order","taxon_db":"mycobank","external_id":"90510","ncbi_id":4892}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1073/pnas.39.7.583","structure_smiles":"CC(C)CC1=C(O)[N+](O)=C(CC(C)C)C(O)=[N+]1O.[Fe].[Fe]","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002321"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001346","name":"Diazines","chemont_id":"CHEMONTID:0001346","description":"Organic compounds containing a five-member heterocyclic compound with five nitrogen atoms, and two nitrogen atoms at positions 1 and 2 (Pyridazines), 1 and 3 (Pyrimidines), or 1 and 4 (Pyrazines)."},"smiles":"[Fe].[Fe].CC(C)CC1=C(O)[N+](O)=C(CC(C)C)C(O)=[N+]1O","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=PMIFRQOTQQDTGH-UHFFFAOYSA-P","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003361","name":"Pyrazinium compounds","chemont_id":"CHEMONTID:0003361","description":"Organic aromatic compounds containing a pyriazinium ring."},"ancestors":["Alcohols and polyols","Azacyclic compounds","Chemical entities","Diazines","Heteroaromatic compounds","Hydrocarbon derivatives","Organic cations","Organic compounds","Organic metal salts","Organic nitrogen compounds","Organic oxygen compounds","Organic salts","Organic transition metal salts","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Polyols","Pyrazines","Pyrazinium compounds"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as pyrazinium compounds. 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