{"id":18864,"npaid":"NPA018864","original_name":"Similanamide","mol_formula":"C34H52N6O6","mol_weight":"640.8260","exact_mass":"640.3948","inchikey":"MFLJIVQNUIVQOL-IVMOBWQFSA-N","smiles":"CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCCN2C(=O)C2=CC=CC=C2NC(=O)[C@@H](C(C)C)NC1=O","cluster_id":26,"node_id":25,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C34H52N6O6/c1-19(2)17-25-30(42)38-28(21(5)6)32(44)36-24-14-10-9-13-23(24)33(45)40-16-12-11-15-26(40)34(46)39(8)27(18-20(3)4)31(43)35-22(7)29(41)37-25/h9-10,13-14,19-22,25-28H,11-12,15-18H2,1-8H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)/t22-,25+,26+,27-,28-/m1/s1","m_plus_h":"641.4021","m_plus_na":"663.3840","origin_reference":{"doi":"10.3390/md13031432","pmid":25789601,"authors":"Prompanya, Chadaporn; Fernandes, Carla; Cravo, Sara; Pinto, Madalena M. M.; Dethoup, Tida; Silva, Artur M. S.; Kijjoa, Anake","title":"A new cyclic hexapeptide and a new isocoumarin derivative from the marine sponge-associated fungus Aspergillus similanensis KUFA 0013","journal":"Marine Drugs","year":2015,"volume":"13","issue":"3","pages":"1432-1450"},"origin_organism":{"id":3123,"type":"Fungus","genus":"Aspergillus","species":"similanensis KUFA 0013","taxon":{"id":1237,"name":"Aspergillus","rank":"genus","taxon_db":"mycobank","external_id":"7248","ncbi_id":5052,"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":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":["10.1021/acs.jnatprod.5b00643"],"reassignments":[{"reference_doi":"10.1021/acs.jnatprod.5b00643","structure_smiles":"CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCCN2C(=O)C2=CC=CC=C2NC(=O)[C@@H](C(C)C)NC1=O"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.3390/md13031432","structure_smiles":"C[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)NC2=CC=CC=C2C(=O)N3CCCC[C@@H]3C(=O)N([C@H](C(=O)N1)CC(C)C)C)C(C)C)CC(C)C","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/acs.jnatprod.5b00643","structure_smiles":"CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCCN2C(=O)C2=CC=CC=C2NC(=O)[C@@H](C(C)C)NC1=O","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013917"}],"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@]12CCCCN1C(=O)C1=CC=CC=C1N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@]([H])(CC(C)C)N(C)C2=O)C(C)C","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=MFLJIVQNUIVQOL-BAVZPMSTSA-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":["Alcohols and polyols","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Benzenoids","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Cyclic peptides","Hydrocarbon derivatives","Lactams","Macrolactams","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Phenylpropanoids and polyketides","Piperidines","Polyols","Propargyl-type 1,3-dipolar organic compounds","Tertiary carboxylic acid amides"],"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 cyclic peptides. 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