{"id":12405,"npaid":"NPA012405","original_name":"Cladosporide B","mol_formula":"C25H38O3","mol_weight":"386.5760","exact_mass":"386.2821","inchikey":"MVGVXWVKGZLRRK-KGEWIPHDSA-N","smiles":"C[C@H](CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@]4(C)C=O)O)C)C)C","cluster_id":69,"node_id":64,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H38O3/c1-16(14-26)17-8-12-25(5)19-6-7-20-22(2,18(19)9-13-24(17,25)4)11-10-21(28)23(20,3)15-27/h6,9,15-17,20-21,26,28H,7-8,10-14H2,1-5H3/t16-,17-,20-,21+,22-,23-,24-,25+/m1/s1","m_plus_h":"387.2894","m_plus_na":"409.2713","origin_reference":{"doi":"10.7164/antibiotics.54.747","pmid":11714232,"authors":"HOSOE, TOMOO; OKAMOTO, SHIGERU; NOZAWA, KOOHEI; KAWAI, KEN-ICHI; OKADA, KAORU; TAKAKI, GALBA MARIA DE CAMPOS; FUKUSHIMA, KAZUTAKA; MIYAJI, MAKOTO","title":"New Pentanorlanostane Derivatives, Cladosporide B-D, as Characteristic Antifungal Agents Against Aspergillus fumigatus, Isolated from Cladosporium sp","journal":"Journal of Antibiotics","year":2001,"volume":"54","issue":"9","pages":"747-750"},"origin_organism":{"id":474,"type":"Fungus","genus":"Cladosporium","species":"sp.","taxon":{"id":643,"name":"Cladosporium","rank":"genus","taxon_db":"mycobank","external_id":"7681","ncbi_id":5498,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":618,"name":"Dothideomycetes","rank":"class","taxon_db":"mycobank","external_id":"501481","ncbi_id":147541},{"id":626,"name":"Capnodiales","rank":"order","taxon_db":"mycobank","external_id":"90464","ncbi_id":134362},{"id":642,"name":"Cladosporiaceae","rank":"family","taxon_db":"mycobank","external_id":"816548","ncbi_id":452563}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.54.747","structure_smiles":"C[C@H](CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@]4(C)C=O)O)C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003942"}],"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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