{"id":3701,"npaid":"NPA003701","original_name":"Scyphostatin","mol_formula":"C29H43NO5","mol_weight":"485.6650","exact_mass":"485.3141","inchikey":"KSIWZCYBCSQXTA-JPOQAJQISA-N","smiles":"CC[C@@H](C)/C=C(\\C)C[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21","cluster_id":2013,"node_id":1614,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1","m_plus_h":"486.3214","m_plus_na":"508.3033","origin_reference":{"doi":"10.7164/antibiotics.52.525","pmid":10470675,"authors":"Nara, Futoshi; Tanaka, Masahiro; Hosoya, Tsuyoshi; Suzuki-Konagai, Keiko; Ogita, Takeshi","title":"Scyphostatin, a neutral sphingomyelinase inhibitor from a discomycete, Trichopeziza mollissima: Taxonomy of the producing organism, fermentation, isolation, and physico-chemical properties","journal":"Journal of Antibiotics","year":1999,"volume":"52","issue":"6","pages":"525-530"},"origin_organism":{"id":2218,"type":"Fungus","genus":"Trichopeziza","species":"mollissima SANK 13892","taxon":{"id":1178,"name":"Trichopeziza","rank":"genus","taxon_db":"mycobank","external_id":"5572","ncbi_id":47815,"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":1150,"name":"Leotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501487","ncbi_id":147548},{"id":1154,"name":"Helotiales","rank":"order","taxon_db":"mycobank","external_id":"90751","ncbi_id":5178},{"id":1174,"name":"Hyaloscyphaceae","rank":"family","taxon_db":"mycobank","external_id":"80871","ncbi_id":47743}]}},"syntheses":["10.1039/b920261g","10.1002/chem.200700871","10.1002/anie.200454192","10.1021/jo070337k","10.1021/ol015873s"],"reassignments":[{"reference_doi":"10.1021/jo070337k","structure_smiles":"CC[C@@H](C)/C=C(\\C)C[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.7164/antibiotics.52.525","structure_smiles":"CCC(C)/C=C(\\C)/CC(C)CC(C)/C=C/C=C/C=C/C(=O)N[C@@H](C[C@@]1([C@@H]2[C@@H](O2)C=CC1=O)O)CO","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/jo070337k","structure_smiles":"CC[C@@H](C)/C=C(\\C)C[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0001765"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"CCC(C)\\C=C(/C)CC(C)CC(C)\\C=C\\C=C\\C=C\\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O","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=KSIWZCYBCSQXTA-BCSSHGTOSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},"ancestors":["Acyloins","Alcohols and polyols","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Cyclohexenones","Dialkyl ethers","Epoxides","Ethers","Fatty Acyls","Fatty amides","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","Primary alcohols","Secondary carboxylic acid amides","Tertiary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as cyclohexenones. 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