{"id":17616,"npaid":"NPA017616","original_name":"Kipukasin G","mol_formula":"C19H22N2O9","mol_weight":"422.3900","exact_mass":"422.1325","inchikey":"CIJRLBYKDKLPQB-BASLNEPJSA-N","smiles":"CC1=CC(=CC(=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)N(C3=O)C)CO)OC)O","cluster_id":59,"node_id":55,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H22N2O9/c1-9-6-10(23)7-11(28-3)14(9)18(26)30-16-12(8-22)29-17(15(16)25)21-5-4-13(24)20(2)19(21)27/h4-7,12,15-17,22-23,25H,8H2,1-3H3/t12-,15-,16-,17-/m1/s1","m_plus_h":"423.1398","m_plus_na":"445.1217","origin_reference":{"doi":"10.1021/np070241l","pmid":17608440,"authors":"Jiao, Ping; Mudur, Sanjay V.; Gloer, James B.; Wicklow, Donald T.","title":"Kipukasins, nucleoside derivatives from Aspergillus versicolor","journal":"Journal of Natural Products","year":2007,"volume":"70","issue":"8","pages":"1308-1311"},"origin_organism":{"id":64,"type":"Fungus","genus":"Aspergillus","species":"versicolor","taxon":{"id":1237,"name":"Aspergillus","rank":"genus","taxon_db":"mycobank","external_id":"7248","ncbi_id":5052,"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":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np070241l","structure_smiles":"CC1=CC(=CC(=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)N(C3=O)C)CO)OC)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0007141"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000480","name":"Pyrimidine nucleosides","chemont_id":"CHEMONTID:0000480","description":"Compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety."},"smiles":"COC1=C(C(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=CC(=O)N(C)C2=O)C(C)=CC(O)=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=CIJRLBYKDKLPQB-BASLNEPJSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alcohols and polyols","Alkyl aryl ethers","Anisoles","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Benzoic acid esters","Benzoic acids and derivatives","Benzoyl derivatives","Carbohydrates and carbohydrate conjugates","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cresols","Diazines","Ethers","Glycosyl compounds","Glycosylamines","Heteroaromatic compounds","Hydrocarbon derivatives","Hydropyrimidines","Lactams","Meta cresols","Methoxybenzenes","Methoxybenzoic acids and derivatives","Methoxyphenols","Monocarboxylic acids and derivatives","Monosaccharides","Nucleosides, nucleotides, and analogues","O-methoxybenzoic acids and derivatives","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxolanes","Phenol ethers","Phenols","Phenoxy compounds","Primary alcohols","Pyrimidine nucleosides","Pyrimidines and pyrimidine derivatives","Pyrimidones","Secondary alcohols","Toluenes","Ureas","Vinylogous amides","p-Hydroxybenzoic acid alkyl esters","p-Hydroxybenzoic acid esters"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000289","name":"Nucleosides, nucleotides, and analogues","chemont_id":"CHEMONTID:0000289","description":"Compounds containing a nucleobase linked to a ribose or deoxyribose sugar via a beta-glycosidic linkage. 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These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety.","substituents":["Pyrimidine nucleoside","P-hydroxybenzoic acid alkyl ester","P-hydroxybenzoic acid ester","Glycosyl compound","N-glycosyl compound","O-methoxybenzoic acid or derivatives","Benzoate ester","Methoxyphenol","Benzoic acid or derivatives","Anisole","Phenoxy compound","Benzoyl","M-cresol","Phenol ether","Methoxybenzene","1-hydroxy-2-unsubstituted benzenoid","Toluene","Pyrimidone","Alkyl aryl ether","Phenol","Hydropyrimidine","Pyrimidine","Monocyclic benzene moiety","Benzenoid","Monosaccharide","Heteroaromatic compound","Oxolane","Vinylogous amide","Carboxylic acid ester","Urea","Secondary alcohol","Lactam","Ether","Carboxylic acid derivative","Oxacycle","Azacycle","Organoheterocyclic compound","Primary alcohol","Organic oxygen compound","Alcohol","Organic oxide","Hydrocarbon derivative","Organonitrogen compound","Organic nitrogen compound","Organooxygen compound","Aromatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000480","name":"Pyrimidine nucleosides","chemont_id":"CHEMONTID:0000480","description":"Compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004702","name":"p-Hydroxybenzoic acid alkyl esters","chemont_id":"CHEMONTID:0004702","description":"Aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002203","name":"Glycosylamines","chemont_id":"CHEMONTID:0002203","description":"Compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002345","name":"O-methoxybenzoic acids and derivatives","chemont_id":"CHEMONTID:0002345","description":"Benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000190","name":"Methoxyphenols","chemont_id":"CHEMONTID:0000190","description":"Compounds containing a methoxy group attached to the benzene ring of a phenol moiety."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000138","name":"Anisoles","chemont_id":"CHEMONTID:0000138","description":"Organic compounds containing a methoxybenzene or a derivative thereof."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000321","name":"Benzoyl derivatives","chemont_id":"CHEMONTID:0000321","description":"Organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004742","name":"Phenoxy compounds","chemont_id":"CHEMONTID:0004742","description":"Aromatic compounds contaning a phenoxy group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001273","name":"Meta cresols","chemont_id":"CHEMONTID:0001273","description":"Aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004113","name":"Methoxybenzenes","chemont_id":"CHEMONTID:0004113","description":"Organic aromatic compounds containing a monocyclic benzene moiety carrying exactly or one more methoxy groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004646","name":"1-hydroxy-2-unsubstituted benzenoids","chemont_id":"CHEMONTID:0004646","description":"Phenols that a unsubstituted at the 2-position."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000128","name":"Alkyl aryl ethers","chemont_id":"CHEMONTID:0000128","description":"Organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001091","name":"Toluenes","chemont_id":"CHEMONTID:0001091","description":"Compounds containing a benzene ring which bears a methane group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000291","name":"Pyrimidones","chemont_id":"CHEMONTID:0000291","description":"Compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002202","name":"Hydropyrimidines","chemont_id":"CHEMONTID:0002202","description":"Compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001540","name":"Monosaccharides","chemont_id":"CHEMONTID:0001540","description":"Compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. 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