{"id":1310,"npaid":"NPA001310","original_name":"Hypomurocin B-3a","mol_formula":"C79H138N20O21","mol_weight":"1704.0920","exact_mass":"1703.0345","inchikey":"VLNMXJHADNGRFF-UHFFFAOYSA-N","smiles":"CC(C)CC(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(C)C","cluster_id":263,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C79H138N20O21/c1-39(2)35-48(85-57(106)43(9)83-56(105)44(10)84-65(114)73(14,15)91-45(11)101)60(109)94-74(16,17)66(115)89-47(31-33-53(81)103)59(108)93-75(18,19)68(117)90-55(42(7)8)63(112)96-72(12,13)64(113)82-37-54(104)92-77(22,23)69(118)98-79(26,27)71(120)99-34-28-29-51(99)62(111)86-49(36-40(3)4)61(110)95-78(24,25)70(119)97-76(20,21)67(116)88-46(30-32-52(80)102)58(107)87-50(38-100)41(5)6/h39-44,46-51,55,100H,28-38H2,1-27H3,(H2,80,102)(H2,81,103)(H,82,113)(H,83,105)(H,84,114)(H,85,106)(H,86,111)(H,87,107)(H,88,116)(H,89,115)(H,90,117)(H,91,101)(H,92,104)(H,93,108)(H,94,109)(H,95,110)(H,96,112)(H,97,119)(H,98,118)","m_plus_h":"1704.0418","m_plus_na":"1726.0237","origin_reference":{"doi":"10.1002/jlac.199719970421","pmid":null,"authors":"Becker, Dieter; Kiess, Michael; Brückner, Hans","title":"Structures of Peptaibol Antibiotics Hypomurocin A and B from the Ascomycetous Fungus Hypocrea muroiana hino et katsumoto","journal":"Liebigs Annalen der Chemie","year":1997,"volume":"1997","issue":"4","pages":"767-772"},"origin_organism":{"id":988,"type":"Fungus","genus":"Hypocrea","species":"muroiana","taxon":{"id":906,"name":"Hypocrea","rank":"genus","taxon_db":"mycobank","external_id":"2432","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":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":901,"name":"Hypocreaceae","rank":"family","taxon_db":"mycobank","external_id":"80892","ncbi_id":5129}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/jlac.199719970421","structure_smiles":"CC(C)CC(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003298","name":"Polypeptides","chemont_id":"CHEMONTID:0003298","description":"Peptides containing ten or more amino acid residues."},"smiles":"CC(C)CC(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(CCC(O)=N)C(=O)NC(C)(C)C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(O)=N)C(=O)NC(CO)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=VLNMXJHADNGRFF-UHFFFAOYSA-N","subclass":null,"ancestors":["Acetamides","Alanine and derivatives","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Leucine and derivatives","Lipids and lipid-like molecules","N-acyl amines","N-acyl-alpha amino acids and derivatives","N-acylpyrrolidines","Organic Polymers","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Polypeptides","Primary alcohols","Proline and derivatives","Pyrrolidine carboxylic acids and derivatives","Pyrrolidinecarboxamides","Pyrrolidines","Secondary carboxylic acid amides","Tertiary carboxylic acid amides","Valine and derivatives"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003297","name":"Organic Polymers","chemont_id":"CHEMONTID:0003297","description":"Organic compounds, generally large molecules or macromolecules, which are composed of many repeating units."},"description":"This compound belongs to the class of organic compounds known as polypeptides. 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