{"id":18575,"npaid":"NPA018575","original_name":"2-azahypoxanthine","mol_formula":"C4H3N5O","mol_weight":"137.1020","exact_mass":"137.0338","inchikey":"BTERLCQQBYXVIN-UHFFFAOYSA-N","smiles":"C1=NC2=C(N1)C(=O)NN=N2","cluster_id":6081,"node_id":4257,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10)","m_plus_h":"138.0411","m_plus_na":"160.0230","origin_reference":{"doi":"10.1002/cbic.201000112","pmid":20486242,"authors":"Choi, Jae-Hoon; Fushimi, Keiji; Abe, Nobuo; Tanaka, Hidekazu; Maeda, Setsuko; Morita, Akio; Hara, Miyuki; Motohashi, Reiko; Matsunaga, Junichi; Eguchi, Yoko; Ishigaki, Naomi; Hashizume, Daisuke; Koshino, Hiroyuki; Kawagishi, Hirokazu","title":"Disclosure of the \"fairy\" of fairy-ring-forming fungus Lepista sordida","journal":"ChemBioChem","year":2010,"volume":"11","issue":"10","pages":"1373-1377"},"origin_organism":{"id":984,"type":"Fungus","genus":"Lepista","species":"sordida","taxon":{"id":1433,"name":"Lepista","rank":"genus","taxon_db":"mycobank","external_id":"17943","ncbi_id":64652,"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":1367,"name":"Agaricales","rank":"order","taxon_db":"mycobank","external_id":"90508","ncbi_id":5338},{"id":1426,"name":"Tricholomataceae","rank":"family","taxon_db":"mycobank","external_id":"80877","ncbi_id":5351}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/cbic.201000112","structure_smiles":"C1=NC2=C(N1)C(=O)NN=N2","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0009229"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000098","name":"Triazines","chemont_id":"CHEMONTID:0000098","description":"Compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms."},"smiles":"Oc1nnnc2[nH]cnc12","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=BTERLCQQBYXVIN-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001693","name":"Aminotriazines","chemont_id":"CHEMONTID:0001693","description":"Organic compounds containing an amino group attached to a triazine ring."},"ancestors":["1,2,3-triazines","Aminotriazines","Azacyclic compounds","Azoles","Chemical entities","Heteroaromatic compounds","Hydrocarbon derivatives","Imidazoles","Organic compounds","Organic nitrogen compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Triazines"],"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 aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.","substituents":["Amino-1,2,3-triazine","1,2,3-triazine","Heteroaromatic compound","Imidazole","Azole","Azacycle","Organic nitrogen compound","Organic oxygen compound","Organopnictogen compound","Hydrocarbon derivative","Organooxygen compound","Organonitrogen compound","Aromatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001693","name":"Aminotriazines","chemont_id":"CHEMONTID:0001693","description":"Organic compounds containing an amino group attached to a triazine ring."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004106","name":"1,2,3-triazines","chemont_id":"CHEMONTID:0004106","description":"Compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 3."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000078","name":"Imidazoles","chemont_id":"CHEMONTID:0000078","description":"Compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004144","name":"Heteroaromatic compounds","chemont_id":"CHEMONTID:0004144","description":"Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004139","name":"Azacyclic compounds","chemont_id":"CHEMONTID:0004139","description":"Organic compounds containing an heterocycle with at least one nitrogen atom and one carbon atom linked to each other."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"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."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["1,2,3-triazines (CHEBI:59099)","imidazoles (CHEBI:24780)","organic aromatic compound (CHEBI:33659)","organonitrogen heterocyclic compound (CHEBI:38101)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)","organonitrogen compound (CHEBI:35352)","organic molecule (CHEBI:72695)","triazines (CHEBI:38102)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","azole (CHEBI:68452)","oxygen molecular entity (CHEBI:25806)","nitrogen molecular entity (CHEBI:51143)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Purine alkaloids"],"pathway_results":["Alkaloids"],"superclass_results":["Pseudoalkaloids (transamidation)"]}}