{"id":18408,"npaid":"NPA018408","original_name":"Ananstrep C","mol_formula":"C28H44O3","mol_weight":"428.6570","exact_mass":"428.3290","inchikey":"PCIZFQVDNDHRPP-ISAQDLBESA-N","smiles":"C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2[C@H]([C@@H]4[C@]5([C@@]3(CC[C@@H](C5)O)C)O4)O)C","cluster_id":1280,"node_id":163,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,24+,25+,26+,27+,28+/m0/s1","m_plus_h":"429.3363","m_plus_na":"451.3182","origin_reference":{"doi":"10.3390/md14050084","pmid":27153073,"authors":"Zhang, Yang-Mei; Li, Hong-Yu; Hu, Chen; Sheng, Hui-Fan; Zhang, Ying; Lin, Bi-Run; Zhou, Guang-Xiong","title":"Ergosterols from the culture broth of marine streptomyces anandii H41-59","journal":"Marine Drugs","year":2016,"volume":"14","issue":"5","pages":null},"origin_organism":{"id":2455,"type":"Bacterium","genus":"Streptomyces","species":"anandii H41-59","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":"10.3390/md14050084","structure_smiles":"C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2[C@H]([C@@H]4[C@]5([C@@]3(CC[C@@H](C5)O)C)O4)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0015393"}],"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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