{"id":26460,"npaid":"NPA026460","original_name":"2-n-heptyl-4-hydroxyquinoline","mol_formula":"C16H21NO","mol_weight":"243.3500","exact_mass":"243.1623","inchikey":"UYRHHBXYXSYGHA-UHFFFAOYSA-N","smiles":"CCCCCCCC1=CC(=O)C2=CC=CC=C2[NH]1","cluster_id":2575,"node_id":2011,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)","m_plus_h":"244.1696","m_plus_na":"266.1515","origin_reference":{"doi":"10.3390/md17020133","pmid":30813382,"authors":"Kim, Heegyu; Chung, Beomkoo; Cho, Eunji; Bae, Suhyun; Oh, Ki-Bong; Hwang, Ji-Yeon; Shin, Jongheon","title":"2-Alkyl-4-hydroxyquinolines from a Marine-Derived Streptomyces sp. Inhibit Hyphal Growth Induction in Candida albicans","journal":"Marine Drugs","year":2019,"volume":"17","issue":"2","pages":null},"origin_organism":{"id":9526,"type":"Bacterium","genus":"Streptomyces","species":"sp. MBTG13","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3390/md17020133","structure_smiles":"CCCCCCCC1=CC(=O)C2=CC=CC=C2[NH]1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095460%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C24H35NO / BUDDY: C24H35NO) with delta m/z 110.11 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000072121%HHQ aka 2-heptylquinolin-4(1H)-one%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005723688%2-heptylquinolin-4(1H)-one%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935253%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C17H33N3O3) with delta m/z 84.094 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935238%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C10H17O4) with delta m/z -42.047 (putative explanation: Deisopropylation, depropylation, dealkylation|Leu/Ile->Ala substitution|Val->Gly substitution; atomic difference: -3C,-6H|-3C,-6H|-3C,-6H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935239%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C12H15N4) with delta m/z -28.031 (putative explanation: Desethylation, didemethylation, dealkylation|Met->Cys substitution|Val->Ala substitution; atomic difference: -2C,-4H|-2C,-4H|-2C,-4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935240%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C10H19N3O3) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935241%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C16H19NO) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935242%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C14H25NOS) with delta m/z 12.0 (putative explanation: formaldehyde adduct|methylation and reduction|unspecified; atomic difference: 1C|1C|1C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935243%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C17H23NO) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935244%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C15H17NO3) with delta m/z 15.958 (putative explanation: Leu/Ile->Glu substitution|Val->Asp substitution|Demethylation+carboxylation; atomic difference: -1C,-4H,2O|-1C,-4H,2O|2O,-1C,-4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935245%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C11H21N3O4) with delta m/z 15.995 (putative explanation: Ala->Ser substitution|Oxidation or Hydroxylation|Phe->Tyr substitution; atomic difference: 1O|1O|1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935246%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C18H23NO) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935247%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C18H25NO) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935248%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C19H25NO) with delta m/z 40.031 (putative explanation: Gly->Pro substitution|Propionaldehyde +40|unspecified; atomic difference: 3C,4H|3C,4H|3C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935249%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C17H25N4) with delta m/z 42.047 (putative explanation: Ala->Leu/Ile substitution|Gly->Val substitution|Propyl|tri-Methylation|unspecified; atomic difference: 3C,6H|3C,6H|3C,6H|3C,6H|3C,H6)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935250%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C11H25N7S) with delta m/z 44.026 (putative explanation: Ethanolation|Gly->Thr substitution|PEG repeat unit|unspecified; atomic difference: 2C,4H,1O|2C,4H,1O|2C,4H,1O|2H,3N)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935251%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C20H29NO) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935252%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C18H31O4) with delta m/z 68.063 (putative explanation: Piperidination|unspecified; atomic difference: 5C,8H|5C,8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935254%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C12H29N5O6) with delta m/z 96.057 (putative explanation: Reduced acrolein addition +96; atomic difference: 6C,8H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935255%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C16H35N3O3S) with delta m/z 106.078 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935256%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C24H33NO) with delta m/z 108.094 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009935257%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula: C24H35NO) with delta m/z 110.11 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095441%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C10H17O4 / BUDDY: C13H15NO) with delta m/z -42.047 (putative explanation: Deisopropylation, depropylation, dealkylation|Leu/Ile->Ala substitution|Val->Gly substitution; atomic difference: -3C,-6H|-3C,-6H|-3C,-6H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095442%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C12H15N4 / BUDDY: C14H17NO) with delta m/z -28.031 (putative explanation: Desethylation, didemethylation, dealkylation|Met->Cys substitution|Val->Ala substitution; atomic difference: -2C,-4H|-2C,-4H|-2C,-4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095443%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C10H19N3O3 / BUDDY: C15H19NO) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095444%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C16H19NO / BUDDY: C16H19NO) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095445%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C14H25NOS / BUDDY: C14H25NOS) with delta m/z 12.0 (putative explanation: formaldehyde adduct|methylation and reduction|unspecified; atomic difference: 1C|1C|1C) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095446%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C17H23NO / BUDDY: C17H23NO) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095447%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C15H17NO3 / BUDDY: C12H21NO3S) with delta m/z 15.958 (putative explanation: Leu/Ile->Glu substitution|Val->Asp substitution|Demethylation+carboxylation; atomic difference: -1C,-4H,2O|-1C,-4H,2O|2O,-1C,-4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095448%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C11H21N3O4 / BUDDY: C16H21NO2) with delta m/z 15.995 (putative explanation: Ala->Ser substitution|Oxidation or Hydroxylation|Phe->Tyr substitution; atomic difference: 1O|1O|1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095449%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C18H23NO / BUDDY: C15H27NOS) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095450%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C18H25NO / BUDDY: C15H29NOS) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095451%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C19H25NO / BUDDY: C19H25NO) with delta m/z 40.031 (putative explanation: Gly->Pro substitution|Propionaldehyde +40|unspecified; atomic difference: 3C,4H|3C,4H|3C,4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095452%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C17H25N4 / BUDDY: C19H27NO) with delta m/z 42.047 (putative explanation: Ala->Leu/Ile substitution|Gly->Val substitution|Propyl|tri-Methylation|unspecified; atomic difference: 3C,6H|3C,6H|3C,6H|3C,6H|3C,H6) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095453%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C11H25N7S / BUDDY: C18H25NO2) with delta m/z 44.026 (putative explanation: Ethanolation|Gly->Thr substitution|PEG repeat unit|unspecified; atomic difference: 2C,4H,1O|2C,4H,1O|2C,4H,1O|2H,3N) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095454%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C20H29NO / BUDDY: C20H29NO) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095455%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C18H31O4 / BUDDY: C21H29NO) with delta m/z 68.063 (putative explanation: Piperidination|unspecified; atomic difference: 5C,8H|5C,8H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095456%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C17H33N3O3 / BUDDY: C22H33NO) with delta m/z 84.094 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095457%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C12H29N5O6 / BUDDY: C18H25N7) with delta m/z 96.057 (putative explanation: Reduced acrolein addition +96; atomic difference: 6C,8H,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095458%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C16H35N3O3S / BUDDY: C24H31NO) with delta m/z 106.078 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012095459%Suspect related to 2-heptylquinolin-4(1H)-one (predicted molecular formula SIRIUS: C24H33NO / BUDDY: C24H33NO) with delta m/z 108.094 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"npmrd","external_db_code":"NP0019310"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001253","name":"Quinolines and derivatives","chemont_id":"CHEMONTID:0001253","description":"Compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene."},"smiles":"CCCCCCCC1=CC(=O)C2=CC=CC=C2N1","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=UYRHHBXYXSYGHA-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000056","name":"Quinolones and derivatives","chemont_id":"CHEMONTID:0000056","description":"Compounds containing a quinoline moiety which bears a ketone group."},"ancestors":["Azacyclic compounds","Benzenoids","Chemical entities","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroquinolines","Hydroquinolones","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Pyridines and derivatives","Quinolines and derivatives","Quinolones and derivatives","Vinylogous amides"],"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 hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.","substituents":["Dihydroquinolone","Dihydroquinoline","Benzenoid","Pyridine","Heteroaromatic compound","Vinylogous amide","Azacycle","Organic nitrogen compound","Organic oxygen compound","Organopnictogen compound","Organic oxide","Hydrocarbon derivative","Organooxygen compound","Organonitrogen compound","Aromatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001716","name":"Hydroquinolones","chemont_id":"CHEMONTID:0001716","description":"Compounds containing a hydrogenated quinoline bearing a ketone group."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001715","name":"Hydroquinolines","chemont_id":"CHEMONTID:0001715","description":"Derivatives of  quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000089","name":"Pyridines and derivatives","chemont_id":"CHEMONTID:0000089","description":"Compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003890","name":"Vinylogous amides","chemont_id":"CHEMONTID:0003890","description":"Organic compounds containing an amine group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety."},{"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/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"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":[{"source":"CHEBI","source_id":"CHEBI:62219","annotations":["quinolone"]},{"source":"META CYC","source_id":"CPD-12836","annotations":["a tautomer"]}],"predicted_chebi_terms":["quinolines (CHEBI:26513)","pyridines (CHEBI:26421)","benzenoid aromatic compound (CHEBI:33836)","enone (CHEBI:51689)","enamine (CHEBI:47989)","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 oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","oxygen molecular entity (CHEBI:25806)","nitrogen molecular entity (CHEBI:51143)","quinolone (CHEBI:23765)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Quinoline alkaloids"],"pathway_results":["Alkaloids"],"superclass_results":["Tryptophan alkaloids","Anthranilic acid alkaloids"]}}