{"id":13554,"npaid":"NPA013554","original_name":"Talosin B","mol_formula":"C27H30O13","mol_weight":"562.5240","exact_mass":"562.1686","inchikey":"GJBRADPPUCQNGC-YYMHJPMMSA-N","smiles":"C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)O)O)O","cluster_id":46,"node_id":11,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C27H30O13/c1-10-19(29)22(32)24(34)26(37-10)39-13-5-3-12(4-6-13)15-9-36-17-8-14(7-16(28)18(17)21(15)31)40-27-25(35)23(33)20(30)11(2)38-27/h3-11,19-20,22-30,32-35H,1-2H3/t10-,11-,19+,20+,22+,23+,24+,25+,26-,27-/m0/s1","m_plus_h":"563.1759","m_plus_na":"585.1578","origin_reference":{"doi":"10.1038/ja.2006.84","pmid":17191678,"authors":"Yoon, Tae Mi; Kim, Jong Woo; Kim, Jong Gwan; Kim, Won Gon; Suh, Joo Won","title":"Talosins A and B: New isoflavonol glycosides with potent antifungal activity from Kitasatospora kifunensis MJM341 I. Taxonomy, fermentation, isolation, and biological activities","journal":"Journal of Antibiotics","year":2006,"volume":"59","issue":"10","pages":"633-639"},"origin_organism":{"id":4413,"type":"Bacterium","genus":"Kitasatospora","species":"kifunensis MJM341","taxon":{"id":281,"name":"Kitasatospora","rank":"genus","taxon_db":"lpsn","external_id":"515888","ncbi_id":2063,"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":"10.1038/ja.2006.84","structure_smiles":"C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"gnps","external_db_code":"CCMSLIB00000847257%NCGC00180205-02!5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R%1!CCMSLIB00000847259%NCGC00180205-02!5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R%1!CCMSLIB00000845324%NCGC00180205-02!5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R%1"},{"external_db_name":"npmrd","external_db_code":"NP0006736"},{"external_db_name":"cmmc","external_db_code":"https://cmmc-kb.gnps2.org/structurepage/?inchikey=GJBRADPPUCQNGC-YYMHJPMMSA-N"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002506","name":"Isoflavonoids","chemont_id":"CHEMONTID:0002506","description":"Natural products derived from 3-phenylchromen-4-one."},"smiles":"C[C@@H]1O[C@@H](OC2=CC=C(C=C2)C2=COC3=CC(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@@H]1O","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=GJBRADPPUCQNGC-YYMHJPMMSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000507","name":"Isoflavonoid O-glycosides","chemont_id":"CHEMONTID:0000507","description":"O-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one."},"ancestors":["1-benzopyrans","1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Acetals","Alcohols and polyols","Benzene and substituted derivatives","Benzenoids","Benzopyrans","Carbohydrates and carbohydrate conjugates","Chemical entities","Chromones","Ethers","Glycosyl compounds","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroxyisoflavonoids","Isoflav-2-enes","Isoflavones","Isoflavonoid O-glycosides","Isoflavonoids","Monosaccharides","O-glycosyl compounds","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxanes","Phenol ethers","Phenolic glycosides","Phenols","Phenoxy compounds","Phenylpropanoids and polyketides","Polyols","Pyranones and derivatives","Pyrans","Secondary alcohols","Vinylogous acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000261","name":"Phenylpropanoids and polyketides","chemont_id":"CHEMONTID:0000261","description":"Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). 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These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.","substituents":["Isoflavonoid o-glycoside","Isoflavonoid-7-o-glycoside","Isoflavonoid-4p-o-glycoside","Isoflavone","Hydroxyisoflavonoid","Phenolic glycoside","Chromone","Glycosyl compound","O-glycosyl compound","Benzopyran","1-benzopyran","Phenoxy compound","Phenol ether","1-hydroxy-4-unsubstituted benzenoid","1-hydroxy-2-unsubstituted benzenoid","Pyranone","Benzenoid","Oxane","Pyran","Monocyclic benzene moiety","Monosaccharide","Vinylogous acid","Heteroaromatic compound","Secondary alcohol","Polyol","Organoheterocyclic compound","Acetal","Oxacycle","Alcohol","Organooxygen compound","Organic oxygen compound","Organic oxide","Hydrocarbon derivative","Aromatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000507","name":"Isoflavonoid O-glycosides","chemont_id":"CHEMONTID:0000507","description":"O-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004154","name":"Hydroxyisoflavonoids","chemont_id":"CHEMONTID:0004154","description":"Organic compounds containing an isoflavonoid skeleton carrying one or more hydroxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000494","name":"Isoflavones","chemont_id":"CHEMONTID:0000494","description":"Polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004165","name":"Phenolic glycosides","chemont_id":"CHEMONTID:0004165","description":"Organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000144","name":"Chromones","chemont_id":"CHEMONTID:0000144","description":"Compounds containing a benzopyran-4-one moiety."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002207","name":"O-glycosyl compounds","chemont_id":"CHEMONTID:0002207","description":"Glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002341","name":"Phenol ethers","chemont_id":"CHEMONTID:0002341","description":"Aromatic compounds containing an ether group substituted with a benzene ring."},{"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/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/C0000481","name":"Pyranones and derivatives","chemont_id":"CHEMONTID:0000481","description":"Compounds containing a pyran ring which bears a ketone."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004647","name":"1-hydroxy-4-unsubstituted benzenoids","chemont_id":"CHEMONTID:0004647","description":"Phenols that are unsubstituted at the 4-position."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002012","name":"Oxanes","chemont_id":"CHEMONTID:0002012","description":"Compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms."},{"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. Monosaccharides have the general formula CnH2nOn."},{"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/C0003889","name":"Vinylogous acids","chemont_id":"CHEMONTID:0003889","description":"Organic compounds containing a hydroxyl group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety."},{"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/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/C0002286","name":"Polyols","chemont_id":"CHEMONTID:0002286","description":"Organic compounds containing more than one hydroxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001656","name":"Acetals","chemont_id":"CHEMONTID:0001656","description":"Compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups."},{"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."},{"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":[{"source":"CHEBI","source_id":"CHEBI:66187","annotations":["hydroxyisoflavone","glycosyloxyisoflavone"]}],"predicted_chebi_terms":["isoflavonoid (CHEBI:50753)","organic hydroxy compound (CHEBI:33822)","isoflavones (CHEBI:38757)","glycoside (CHEBI:24400)","chromones (CHEBI:23238)","aromatic ether (CHEBI:35618)","benzenes (CHEBI:22712)","phenols (CHEBI:33853)","pyranone (CHEBI:37963)","oxanes (CHEBI:46942)","monosaccharide (CHEBI:35381)","organic aromatic compound (CHEBI:33659)","enone (CHEBI:51689)","enol (CHEBI:33823)","secondary alcohol (CHEBI:35681)","oxacycle (CHEBI:38104)","polyol (CHEBI:26191)","acetal (CHEBI:59769)","organic molecule (CHEBI:72695)","organic oxide (CHEBI:25701)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","organic heterocyclic compound (CHEBI:24532)","benzopyran (CHEBI:22727)","1-benzopyran (CHEBI:38443)","benzenoid aromatic compound (CHEBI:33836)","pyrans (CHEBI:26407)","alcohol (CHEBI:30879)","ether (CHEBI:25698)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Isoflavonoids (PK1205)","Benzopyranoids (PK1311)"]},"npclassifier":{"isglycoside":true,"class_results":["Isoflavones"],"pathway_results":["Shikimates and Phenylpropanoids"],"superclass_results":["Isoflavonoids"]}}