{"id":15593,"npaid":"NPA015593","original_name":"P371A2","mol_formula":"C50H68N2O22","mol_weight":"1049.0860","exact_mass":"1048.4264","inchikey":"GJZPLIQVLNQTFZ-GRWLCLGFSA-N","smiles":"C[C@@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@]2(C)O)O[C@@H]3C[C@@H](O[C@@H]([C@H]3O)C)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)[C@@H]([C@@H]([C@@]7([C@]6([C@H](C=C([C@H]7OC(=O)C)C)O[C@H]8C[C@H]([C@@H]([C@@H](O8)C)O)OC)O)O)OC(=O)C)O)O)C)NC(=O)N","cluster_id":1072,"node_id":922,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C50H68N2O22/c1-18-14-31(73-33-16-29(65-9)38(55)21(4)68-33)49(63)37-36(43(60)46(71-24(7)54)50(49,64)44(18)70-23(6)53)42(59)35-26(41(37)58)11-10-25(40(35)57)28-15-30(39(56)20(3)66-28)72-34-17-48(8,62)45(22(5)69-34)74-32-13-12-27(19(2)67-32)52-47(51)61/h10-11,14,19-22,27-34,38-39,43-46,55-57,60,62-64H,12-13,15-17H2,1-9H3,(H3,51,52,61)/t19-,20-,21+,22-,27+,28-,29-,30-,31+,32+,33+,34+,38-,39-,43+,44-,45-,46+,48+,49-,50+/m1/s1","m_plus_h":"1049.4337","m_plus_na":"1071.4156","origin_reference":{"doi":"10.1021/np990533p","pmid":10869202,"authors":"Uesato, Shinichi; Tokunaga, Takashi; Mizuno, Yoshihide; Fujioka, Hironori; Kada, Satoru; Kuwajima, Hiroshi","title":"Absolute stereochemistry of gastric antisecretory compound P371A1 and its congener P371A2 from Streptomyces species P371","journal":"Journal of Natural Products","year":2000,"volume":"63","issue":"6","pages":"787-792"},"origin_organism":{"id":1206,"type":"Bacterium","genus":"Streptomyces","species":"sp. P371","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":"10.1021/np990533p","structure_smiles":"C[C@@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@]2(C)O)O[C@@H]3C[C@@H](O[C@@H]([C@H]3O)C)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)[C@@H]([C@@H]([C@@]7([C@]6([C@H](C=C([C@H]7OC(=O)C)C)O[C@H]8C[C@H]([C@@H]([C@@H](O8)C)O)OC)O)O)OC(=O)C)O)O)C)NC(=O)N","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003338"}],"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. 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