{"id":1638,"npaid":"NPA001638","original_name":"SMTP-13","mol_formula":"C28H39NO6S","mol_weight":"517.6880","exact_mass":"517.2498","inchikey":"VADZLXWDWZCYAJ-HPJWIMSGSA-N","smiles":"CC(=CCCC(=CCC[C@]1([C@H](CC2=C(C=C3C(=C2O1)CN(C3=O)[C@@H](CCSC)C(=O)O)O)O)C)C)C","cluster_id":201,"node_id":188,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H39NO6S/c1-17(2)8-6-9-18(3)10-7-12-28(4)24(31)15-20-23(30)14-19-21(25(20)35-28)16-29(26(19)32)22(27(33)34)11-13-36-5/h8,10,14,22,24,30-31H,6-7,9,11-13,15-16H2,1-5H3,(H,33,34)/t22-,24-,28-/m0/s1","m_plus_h":"518.2571","m_plus_na":"540.2390","origin_reference":{"doi":"10.1038/ja.2010.101","pmid":20842143,"authors":"Hasegawa, Keiko; Koide, Haruki; Hu, Weimin; Nishimura, Naoko; Narasaki, Ritsuko; Kitano, Yoshikazu; Hasumi, Keiji","title":"Structure-activity relationships of 11 new congeners of the SMTP plasminogen modulator","journal":"Journal of Antibiotics","year":2010,"volume":"63","issue":"10","pages":"589-593"},"origin_organism":{"id":1184,"type":"Fungus","genus":"Stachybotrys","species":"microspora","taxon":{"id":980,"name":"Stachybotrys","rank":"genus","taxon_db":"mycobank","external_id":"10052","ncbi_id":74721,"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":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":899,"name":"Hypocreales","rank":"order","taxon_db":"mycobank","external_id":"90477","ncbi_id":5125},{"id":978,"name":"Stachybotryaceae","rank":"family","taxon_db":"mycobank","external_id":"90922","ncbi_id":1667166}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1038/ja.2010.101","structure_smiles":"CC(=CCCC(=CCC[C@]1([C@H](CC2=C(C=C3C(=C2O1)CN(C3=O)[C@@H](CCSC)C(=O)O)O)O)C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0009464"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"[H][C@@](CCSC)(N1CC2=C3O[C@@](C)(CCC=C(C)CCC=C(C)C)[C@@]([H])(O)CC3=C(O)C=C2C1=O)C(O)=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=VADZLXWDWZCYAJ-HPJWIMSGSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["1-benzopyrans","1-hydroxy-2-unsubstituted benzenoids","Alcohols and polyols","Alkyl aryl ethers","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Aromatic monoterpenoids","Azacyclic compounds","Benzenoids","Benzopyrans","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylthioethers","Ethers","Fatty Acyls","Fatty acids and conjugates","Hydrocarbon derivatives","Hydroxy fatty acids","Isoindoles","Isoindoles and derivatives","Isoindolines","Isoindolones","Lactams","Lipids and lipid-like molecules","Methionine and derivatives","Monocarboxylic acids and derivatives","Monoterpenoids","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Oxacyclic compounds","Phenols","Prenol lipids","Secondary alcohols","Sulfenyl compounds","Tertiary carboxylic acid amides","Thia fatty acids","Thioethers"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as methionine and derivatives. 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pyrrole."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001423","name":"Thia fatty acids","chemont_id":"CHEMONTID:0001423","description":"Fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000341","name":"Hydroxy fatty acids","chemont_id":"CHEMONTID:0000341","description":"Fatty acids in which the chain bears a hydroxyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000128","name":"Alkyl aryl ethers","chemont_id":"CHEMONTID:0000128","description":"Organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004646","name":"1-hydroxy-2-unsubstituted benzenoids","chemont_id":"CHEMONTID:0004646","description":"Phenols that a unsubstituted at the 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