{"id":23891,"npaid":"NPA023891","original_name":"Yangpumicin A","mol_formula":"C26H17NO7","mol_weight":"455.4220","exact_mass":"455.1005","inchikey":"OBUHDEKWYQCPLP-DWOUCKERSA-N","smiles":"C[C@H]([C@]12[C@@H]3C#CC=CC#C[C@H]([C@@]1(O2)C4=CC(=C5C(=C4N3)C(=O)C6=C(C5=O)C=CC=C6O)O)O)O","cluster_id":1122,"node_id":294,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C26H17NO7/c1-12(28)25-17-9-4-2-3-5-10-18(31)26(25,34-25)14-11-16(30)20-21(22(14)27-17)24(33)19-13(23(20)32)7-6-8-15(19)29/h2-3,6-8,11-12,17-18,27-31H,1H3/t12-,17+,18-,25+,26+/m1/s1","m_plus_h":"456.1078","m_plus_na":"478.0897","origin_reference":{"doi":"10.1021/acs.orglett.7b03120","pmid":29086572,"authors":"Yan, Xiaohui; Chen, Jian-Jun; Adhikari, Ajeeth; Yang, Dong; Crnovcic, Ivana; Wang, Nan; Chang, Chin-Yuan; Rader, Christoph; Shen, Ben","title":"Genome Mining of Micromonospora yangpuensis DSM 45577 as a Producer of an Anthraquinone-Fused Enediyne","journal":"Organic Letters","year":2017,"volume":"19","issue":"22","pages":"6192-6195"},"origin_organism":{"id":8313,"type":"Bacterium","genus":"Micromonospora","species":"yangpuensis DSM 45577","taxon":{"id":253,"name":"Micromonospora","rank":"genus","taxon_db":"lpsn","external_id":"516092","ncbi_id":1873,"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":246,"name":"Micromonosporales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85008},{"id":247,"name":"Micromonosporaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":28056}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.orglett.7b03120","structure_smiles":"C[C@H]([C@]12[C@@H]3C#CC=CC#C[C@H]([C@@]1(O2)C4=CC(=C5C(=C4N3)C(=O)C6=C(C5=O)C=CC=C6O)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002387"},{"external_db_name":"npmrd","external_db_code":"NP0017165"},{"external_db_name":"npmrd","external_db_code":"NP0281481"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000258","name":"Steroids and steroid derivatives","chemont_id":"CHEMONTID:0000258","description":"Compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred."},"smiles":"[H][C@](C)(O)[C@@]12O[C@]11C3=CC(O)=C4C(=O)C5=C(C(O)=CC=C5)C(=O)C4=C3N[C@@]2([H])C#CC=CC#C[C@@]1([H])O","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=OBUHDEKWYQCPLP-DWOUCKERSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001295","name":"Hydroxysteroids","chemont_id":"CHEMONTID:0001295","description":"Compounds containing an steroid backbone, with at least one hydrogen substituted by a hydroxyl group."},"ancestors":["1,3-aminoalcohols","1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","6-hydroxysteroids","Alcohols and polyols","Alkanolamines","Amines","Anthracenes","Anthraquinones","Aralkylamines","Aryl ketones","Azacyclic compounds","Benzenoids","Carbonyl compounds","Chemical entities","Dialkyl ethers","Epoxides","Ethers","Hydrocarbon derivatives","Hydroquinolines","Hydroxysteroids","Ketones","Lipids and lipid-like molecules","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Phenols","Polyols","Quinolines and derivatives","Secondary alcohols","Secondary alkylarylamines","Secondary amines","Steroids and steroid derivatives","Vinylogous acids","Vinylogous amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as 6-hydroxysteroids. 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