{"id":14384,"npaid":"NPA014384","original_name":"Microviridin H","mol_formula":"C89H115N17O26","mol_weight":"1838.9920","exact_mass":"1837.8199","inchikey":"UGNBQCBVWHMOCX-PIDJHHABSA-N","smiles":"C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O1)NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC2=O)CC4=CC=C(C=C4)O)CO)CC5=CNC6=CC=CC=C65)CCC(=O)OC)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)O)CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C","cluster_id":2347,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C89H115N17O26/c1-46(2)38-62-80(120)94-58-14-8-9-35-91-72(113)33-30-60(78(118)102-67(89(129)130)41-51-21-27-55(111)28-22-51)95-77(117)61(31-34-73(114)131-5)96-81(121)63(42-52-44-92-57-13-7-6-12-56(52)57)98-82(122)64(99-83(123)68(45-107)103-85(125)70-16-11-37-106(70)88(128)66(101-76(58)116)40-50-19-25-54(110)26-20-50)43-74(115)132-47(3)75(86(126)100-62)104-79(119)59(29-32-71(90)112)97-84(124)69-15-10-36-105(69)87(127)65(93-48(4)108)39-49-17-23-53(109)24-18-49/h6-7,12-13,17-28,44,46-47,58-70,75,92,107,109-111H,8-11,14-16,29-43,45H2,1-5H3,(H2,90,112)(H,91,113)(H,93,108)(H,94,120)(H,95,117)(H,96,121)(H,97,124)(H,98,122)(H,99,123)(H,100,126)(H,101,116)(H,102,118)(H,103,125)(H,104,119)(H,129,130)/t47-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+/m1/s1","m_plus_h":"1838.8272","m_plus_na":"1860.8091","origin_reference":{"doi":"10.1016/s0031-9422(97)00131-3","pmid":null,"authors":"Murakami, Masahiro; Sun, Qi; Ishida, Keishi; Matsuda, Hisashi; Okino, Tatsufumi; Yamaguchi, Katsumi","title":"Microviridins, elastase inhibitors from the cyanobacterium Nostoc minutum (NIES-26)","journal":"Phytochemistry","year":1997,"volume":"45","issue":"6","pages":"1197-1202"},"origin_organism":{"id":4812,"type":"Bacterium","genus":"Nostoc","species":"minutum (NIES-26)","taxon":{"id":431,"name":"Nostoc","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1177,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":417,"name":"Cyanobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1117},{"id":418,"name":"Cyanophyceae","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":419,"name":"Nostocales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1161},{"id":429,"name":"Nostocaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1162}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/s0031-9422(97)00131-3","structure_smiles":"C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O1)NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC2=O)CC4=CC=C(C=C4)O)CO)CC5=CNC6=CC=CC=C65)CCC(=O)OC)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)O)CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)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":"COC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H]2CC(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=C(O)C=C3)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N2","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=UGNBQCBVWHMOCX-PIDJHHABSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","3-alkylindoles","Acetamides","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic peptides","Fatty Acyls","Fatty acid esters","Fatty amides","Glutamine and derivatives","Heteroaromatic compounds","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Lactams","Lactones","Lipids and lipid-like molecules","Macrolactams","Macrolides and analogues","Methyl esters","N-acyl amines","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","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","Oxacyclic compounds","Peptides","Phenethylamines","Phenols","Phenylalanine and derivatives","Phenylpropanoic acids","Phenylpropanoids and polyketides","Polypeptides","Primary alcohols","Primary carboxylic acid amides","Proline and derivatives","Pyrroles","Pyrrolidine carboxylic acids and derivatives","Pyrrolidinecarboxamides","Pyrrolidines","Secondary carboxylic acid amides","Substituted pyrroles","Tertiary carboxylic acid amides","Tricarboxylic acids and derivatives","Tyrosine 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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They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000147","name":"Macrolides and analogues","chemont_id":"CHEMONTID:0000147","description":"Organic compounds containing a lactone ring of at least twelve members."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004322","name":"Proline and derivatives","chemont_id":"CHEMONTID:0004322","description":"Compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004148","name":"N-acyl-L-alpha-amino acids","chemont_id":"CHEMONTID:0004148","description":"N-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002309","name":"Alpha amino acid amides","chemont_id":"CHEMONTID:0002309","description":"Amide derivatives of alpha amino acids."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002551","name":"Phenylpropanoic acids","chemont_id":"CHEMONTID:0002551","description":"Compounds with a structure containing a benzene ring conjugated to a propanoic acid."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000188","name":"Amphetamines and derivatives","chemont_id":"CHEMONTID:0000188","description":"Organic compounds containing or derived from 1-phenylpropan-2-amine."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004196","name":"3-alkylindoles","chemont_id":"CHEMONTID:0004196","description":"Compounds containing an indole moiety that carries an alkyl chain at the 3-position."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001986","name":"Tricarboxylic acids and derivatives","chemont_id":"CHEMONTID:0001986","description":"Carboxylic acids containing exactly three carboxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003023","name":"N-acylpyrrolidines","chemont_id":"CHEMONTID:0003023","description":"N-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002256","name":"Pyrrolidinecarboxamides","chemont_id":"CHEMONTID:0002256","description":"Pyrrolidines in which the pyrrolidine rings is substituted at one or more positions by a carboxamide group. 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