{"id":3700,"npaid":"NPA003700","original_name":"Citridone B","mol_formula":"C19H21NO5","mol_weight":"343.3790","exact_mass":"343.1420","inchikey":"HKJGXZQUAMKOKS-GIEQTFEPSA-N","smiles":"CC([C@]1([C@H]2[C@@]([C@H](O1)O)(C3=C(O2)NC=C(C3=O)C4=CC=CC=C4)C)C)O","cluster_id":2012,"node_id":1613,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H21NO5/c1-10(21)19(3)16-18(2,17(23)25-19)13-14(22)12(9-20-15(13)24-16)11-7-5-4-6-8-11/h4-10,16-17,21,23H,1-3H3,(H,20,22)/t10?,16-,17+,18+,19+/m1/s1","m_plus_h":"344.1493","m_plus_na":"366.1312","origin_reference":{"doi":"10.1038/ja.2005.39","pmid":16060383,"authors":"Fukuda, Takashi; Tomoda, Hiroshi; Ōmura, Satoshi","title":"Citridones, New Potentiators of Antifungal Miconazole Activity, Produced by Penicillium sp. FKI-1938","journal":"Journal of Antibiotics","year":2005,"volume":"58","issue":"5","pages":"315-321"},"origin_organism":{"id":2217,"type":"Fungus","genus":"Penicillium","species":"sp. 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Monosaccharides have the general formula CnH2nOn."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003891","name":"Vinylogous esters","chemont_id":"CHEMONTID:0003891","description":"Organic compounds containing an ester group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety."},{"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/C0001967","name":"Oxolanes","chemont_id":"CHEMONTID:0001967","description":"Organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five 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/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001092","name":"Hemiacetals","chemont_id":"CHEMONTID:0001092","description":"Compounds comprising the hemiacetal functional group, with the general formula R2C(OH)OR' ( R' not Hydrogen )."},{"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/C0004140","name":"Oxacyclic compounds","chemont_id":"CHEMONTID:0004140","description":"Organic compounds containing an heterocycle with at least one oxygen atom linked to a ring carbon."},{"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/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. 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They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["furofuran (CHEBI:47790)","aromatic ether (CHEBI:35618)","benzenes (CHEBI:22712)","monosaccharide (CHEBI:35381)","enone (CHEBI:51689)","enol ether (CHEBI:47985)","enamine (CHEBI:47989)","oxolanes (CHEBI:26912)","organic aromatic compound (CHEBI:33659)","secondary alcohol (CHEBI:35681)","hemiacetal (CHEBI:5653)","organonitrogen heterocyclic compound (CHEBI:38101)","oxacycle (CHEBI:38104)","organonitrogen compound (CHEBI:35352)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organic molecule (CHEBI:72695)","organic oxide (CHEBI:25701)","phenylpyridine (CHEBI:38193)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","oxygen molecular entity (CHEBI:25806)","organooxygen compound (CHEBI:36963)","ether (CHEBI:25698)","benzenoid aromatic compound (CHEBI:33836)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","organic acid (CHEBI:64709)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","nitrogen molecular entity (CHEBI:51143)","pyridines (CHEBI:26421)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":true,"class_results":["Pyridine alkaloids"],"pathway_results":["Alkaloids"],"superclass_results":["Nicotinic acid alkaloids"]}}