{"id":15387,"npaid":"NPA015387","original_name":"Bendigole B","mol_formula":"C23H32O3","mol_weight":"356.5060","exact_mass":"356.2351","inchikey":"ADAGZDQSLWVWDS-OZNMWJIMSA-N","smiles":"C[C@@H]([C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)C","cluster_id":1904,"node_id":1533,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C23H32O3/c1-13(14(2)24)18-7-8-19-17-6-5-15-11-16(25)9-10-22(15,3)20(17)12-21(26)23(18,19)4/h9-11,13,17-21,26H,5-8,12H2,1-4H3/t13-,17+,18-,19+,20+,21+,22+,23-/m1/s1","m_plus_h":"357.2424","m_plus_na":"379.2243","origin_reference":{"doi":"10.1038/ja.2008.50","pmid":18667783,"authors":"Schneider, Kathrin; Graf, Ellen; Irran, Elisabeth; Nicholson, Graeme; Stainsby, Fiona M; Goodfellow, Michael; Borden, Steffen A; Keller, Simone; Süssmuth, Roderich D; Fiedler, Hans-Peter","title":"Bendigoles A approximately C, new steroids from Gordonia australis Acta 2299","journal":"Journal of Antibiotics","year":2008,"volume":"61","issue":"6","pages":"356-364"},"origin_organism":{"id":2093,"type":"Bacterium","genus":"Gordonia","species":"australis Acta 2299","taxon":{"id":312,"name":"Gordonia","rank":"genus","taxon_db":"lpsn","external_id":"515720","ncbi_id":2053,"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":306,"name":"Corynebacteriales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85007},{"id":311,"name":"Gordoniaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":85026}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1038/ja.2008.50","structure_smiles":"C[C@@H]([C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0007906"}],"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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