{"id":4559,"npaid":"NPA004559","original_name":"Aranorosinol B","mol_formula":"C26H39NO7","mol_weight":"477.5980","exact_mass":"477.2727","inchikey":"YFJWRMZGLWVCSQ-QWVPHFIZSA-N","smiles":"CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(OC1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@@H]1O[C@@H]12","cluster_id":282,"node_id":256,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C26H39NO7/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(29)27-18-14-26(34-24(18)30)22-20(32-22)25(31,13-17(4)28)21-23(26)33-21/h10-12,15,18,20-24,30-31H,5-9,13-14H2,1-4H3,(H,27,29)/b11-10+,16-12+/t15-,18+,20-,21+,22+,23-,24?,25?,26?/m1/s1","m_plus_h":"478.2800","m_plus_na":"500.2619","origin_reference":{"doi":"10.7164/antibiotics.45.1592","pmid":1473986,"authors":"Roy; Vijayakumar; Mukhopadhyay; Chatterjee; Bhat; Blumbach; Ganguli","title":"Aranorosinol A and aranorosinol B, two new metabolites from Pseudoarachniotus roseus: Production, isolation, structure elucidation and biological properties","journal":"Journal of Antibiotics","year":1992,"volume":"45","issue":"10","pages":"1592-1598"},"origin_organism":{"id":2523,"type":"Fungus","genus":"Pseudoarachniotus","species":"roseus (HIL Y-30499)","taxon":{"id":1223,"name":"Pseudoarachniotus","rank":"genus","taxon_db":"mycobank","external_id":"4411","ncbi_id":null,"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":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1213,"name":"Onygenales","rank":"order","taxon_db":"mycobank","external_id":"90487","ncbi_id":33183},{"id":1219,"name":"Gymnoascaceae","rank":"family","taxon_db":"mycobank","external_id":"80822","ncbi_id":37243}]}},"syntheses":[],"reassignments":[{"reference_doi":"10.1021/acs.joc.0c00028","structure_smiles":"CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(OC1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@@H]1O[C@@H]12"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.7164/antibiotics.45.1592","structure_smiles":"CCCCCCC(C)/C=C(\\C)/C=C/C(=O)N[C@H]1CC2([C@H]3[C@H](O3)C([C@H]4[C@@H]2O4)(CC(=O)C)O)O[C@H]1O","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/acs.joc.0c00028","structure_smiles":"CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(OC1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@@H]1O[C@@H]12","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0005073"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001729","name":"Oxepanes","chemont_id":"CHEMONTID:0001729","description":"Compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms."},"smiles":"CCCCCCC(C)\\C=C(/C)\\C=C\\C(=O)N[C@H]1CC2(O[C@H]1O)[C@H]1O[C@H]1C(O)(CC(C)=O)[C@H]1O[C@@H]21","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=YFJWRMZGLWVCSQ-CBVPCKOISA-N","subclass":null,"ancestors":["Alcohols and polyols","Beta-hydroxy ketones","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Dialkyl ethers","Epoxides","Ethers","Fatty Acyls","Fatty amides","Hemiacetals","Hydrocarbon derivatives","Ketones","Lipids and lipid-like molecules","N-acyl amines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxepanes","Secondary carboxylic acid amides","Tertiary alcohols","Tetrahydrofurans"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as oxepanes. 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