{"id":17494,"npaid":"NPA017494","original_name":"Piptamine","mol_formula":"C23H41N","mol_weight":"331.5880","exact_mass":"331.3239","inchikey":"YMMNFUJNCOWQRX-UHFFFAOYSA-N","smiles":"CCCCCCCCCCCCCCCN(C)CC1=CC=CC=C1","cluster_id":5872,"node_id":4128,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C23H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2)22-23-19-16-15-17-20-23/h15-17,19-20H,3-14,18,21-22H2,1-2H3","m_plus_h":"332.3312","m_plus_na":"354.3131","origin_reference":{"doi":"10.7164/antibiotics.53.973","pmid":11099232,"authors":"SCHLEGEL, BRIGITTE; LUHMANN, UDO; HÄRTL, ALBERT; GRÄFE, UDO","title":"Piptamine, a New Antibiotic Produced by Piptoporus betulinus Lu 9-1","journal":"Journal of Antibiotics","year":2000,"volume":"53","issue":"9","pages":"973-974"},"origin_organism":{"id":2667,"type":"Fungus","genus":"Piptoporus","species":"betulinus","taxon":{"id":1525,"name":"Piptoporus","rank":"genus","taxon_db":"mycobank","external_id":"18291","ncbi_id":null,"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":1511,"name":"Polyporales","rank":"order","taxon_db":"mycobank","external_id":"90565","ncbi_id":5303},{"id":1518,"name":"Fomitopsidaceae","rank":"family","taxon_db":"mycobank","external_id":"81772","ncbi_id":1769247}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.53.973","structure_smiles":"CCCCCCCCCCCCCCCN(C)CC1=CC=CC=C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003559"}],"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":"CCCCCCCCCCCCCCCN(C)CC1=CC=CC=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=YMMNFUJNCOWQRX-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000185","name":"Phenylmethylamines","chemont_id":"CHEMONTID:0000185","description":"Compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine."},"ancestors":["Amines","Aralkylamines","Benzene and substituted derivatives","Benzenoids","Benzylamines","Chemical entities","Hydrocarbon derivatives","Organic compounds","Organic nitrogen compounds","Organonitrogen compounds","Organopnictogen compounds","Phenylmethylamines","Tertiary amines","Trialkylamines"],"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 phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.","substituents":["Phenylmethylamine","Benzylamine","Aralkylamine","Tertiary aliphatic amine","Tertiary amine","Organic nitrogen compound","Organopnictogen compound","Hydrocarbon derivative","Organonitrogen compound","Amine","Aromatic homomonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000185","name":"Phenylmethylamines","chemont_id":"CHEMONTID:0000185","description":"Compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002673","name":"Benzylamines","chemont_id":"CHEMONTID:0002673","description":"Organic compounds containing benzylamine, which consists of a benzene group attached to an amine group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003899","name":"Aralkylamines","chemont_id":"CHEMONTID:0003899","description":"Alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002239","name":"Trialkylamines","chemont_id":"CHEMONTID:0002239","description":"Organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen."},{"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/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 homomonocyclic compounds","external_descriptors":[{"source":"CHEBI","source_id":"CHEBI:66758","annotations":["aromatic amine"]}],"predicted_chebi_terms":["aralkylamine (CHEBI:18000)","tertiary amino compound (CHEBI:50996)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organic molecule (CHEBI:72695)","aromatic amine (CHEBI:33860)","chemical entity (CHEBI:24431)","benzenoid aromatic compound (CHEBI:33836)","benzenes (CHEBI:22712)","nitrogen molecular entity (CHEBI:51143)","organonitrogen compound (CHEBI:35352)","amine (CHEBI:32952)","tertiary amine (CHEBI:32876)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":[],"superclass_results":[]}}