{"id":2215,"npaid":"NPA002215","original_name":"Antascomicin B","mol_formula":"C37H57NO10","mol_weight":"675.8600","exact_mass":"675.3982","inchikey":"PSAJCYLXNSDJCJ-NXQCLTBJSA-N","smiles":"C[C@H]\\1CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]3([C@@H](CC[C@H](O3)[C@H](C(=O)/C=C/CC/C=C1)C)C)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H]([C@H]4O)O)O","cluster_id":1337,"node_id":1128,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7+,13-8+/t22-,23-,24-,25+,26+,27+,29-,30+,31+,32+,33+,37-/m1/s1","m_plus_h":"676.4055","m_plus_na":"698.3874","origin_reference":{"doi":"10.7164/antibiotics.49.230","pmid":8626235,"authors":"Fehr; Sanglier; Schuler; Gschwind; Ponelle; Schilling; Wioland","title":"Antascomicins A, B, C, D and E. Novel FKBP12 binding compounds from a Micromonospora strain","journal":"Journal of Antibiotics","year":1996,"volume":"49","issue":"3","pages":"230-233"},"origin_organism":{"id":1506,"type":"Bacterium","genus":"Micromonospora","species":"sp. A92-306401","taxon":{"id":253,"name":"Micromonospora","rank":"genus","taxon_db":"lpsn","external_id":"516092","ncbi_id":1873,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":246,"name":"Micromonosporales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85008},{"id":247,"name":"Micromonosporaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":28056}]}},"syntheses":["10.1002/anie.200500174"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.49.230","structure_smiles":"C[C@H]\\1CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]3([C@@H](CC[C@H](O3)[C@H](C(=O)/C=C/CC/C=C1)C)C)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H]([C@H]4O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0023101"},{"external_db_name":"npmrd","external_db_code":"NP0161874"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001900","name":"Macrolide lactams","chemont_id":"CHEMONTID:0001900","description":"Cyclic polyketides containing  both a cyclic amide and a cyclic ester group."},"smiles":"C[C@H](C[C@@H]1CC[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@H](C)\\C=C\\CC\\C=C\\C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1","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=PSAJCYLXNSDJCJ-NXQCLTBJSA-N","subclass":null,"ancestors":["Alcohols and polyols","Alpha amino acid esters","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Cyclic ketones","Cyclitols and derivatives","Cyclohexanols","Ethers","Hemiacetals","Hydrocarbon derivatives","Ketones","Lactams","Lactones","Macrolide lactams","Macrolides and analogues","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","Phenylpropanoids and polyketides","Piperidines","Polyols","Secondary alcohols","Tertiary carboxylic acid amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000261","name":"Phenylpropanoids and polyketides","chemont_id":"CHEMONTID:0000261","description":"Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). 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