{"id":4676,"npaid":"NPA004676","original_name":"Mildiomycin","mol_formula":"C19H30N8O9","mol_weight":"514.4960","exact_mass":"514.2136","inchikey":"QKJJCZYFXJCKRX-AMYGDCFASA-N","smiles":"C1=C[C@@H](O[C@@H]([C@H]1NC(=O)C(CO)N)C(CC(CN=C(N)N)O)(C(=O)O)O)N2C=C(C(=NC2=O)N)CO","cluster_id":2392,"node_id":1881,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H30N8O9/c20-10(7-29)15(31)25-11-1-2-12(27-5-8(6-28)14(21)26-18(27)34)36-13(11)19(35,16(32)33)3-9(30)4-24-17(22)23/h1-2,5,9-13,28-30,35H,3-4,6-7,20H2,(H,25,31)(H,32,33)(H2,21,26,34)(H4,22,23,24)/t9?,10?,11-,12+,13-,19?/m0/s1","m_plus_h":"515.2209","m_plus_na":"537.2028","origin_reference":{"doi":"10.1021/ja00483a047","pmid":null,"authors":"Harada, S; Mizuta, E; Kishi, T","title":"Structure of mildiomycin, a new antifungal nucleoside antibiotic","journal":"Journal of the American Chemical Society","year":1978,"volume":"100","issue":"15","pages":"4895-4897"},"origin_organism":{"id":2572,"type":"Bacterium","genus":"Streptoverticillium","species":"rimofaciens (strain B-98891)","taxon":{"id":284,"name":"Streptoverticillium","rank":"genus","taxon_db":"lpsn","external_id":"516693","ncbi_id":null,"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":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/ja00483a047","structure_smiles":"C1=C[C@@H](O[C@@H]([C@H]1NC(=O)C(CO)N)C(CC(CN=C(N)N)O)(C(=O)O)O)N2C=C(C(=NC2=O)N)CO","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000882"},{"external_db_name":"npmrd","external_db_code":"NP0215595"}],"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":"NC(CO)C(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)(CC(O)CN=C(N)N)C(O)=O)N1C=C(CO)C(N)=NC1=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=QKJJCZYFXJCKRX-AMYGDCFASA-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 acid amides","Alpha amino acids and derivatives","Alpha hydroxy acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Aminopyrimidines and derivatives","Aromatic alcohols","Azacyclic compounds","Carbonyl compounds","Carboximidamides","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Diazines","Gamma amino acids and derivatives","Guanidines","Heteroaromatic compounds","Hydrocarbon derivatives","Hydropyrimidines","Hydroxy acids and derivatives","Imidolactams","Monoalkylamines","Monocarboxylic acids and derivatives","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","Oxacyclic compounds","Primary alcohols","Primary amines","Propargyl-type 1,3-dipolar organic compounds","Pyrans","Pyrimidines and pyrimidine derivatives","Pyrimidones","Secondary alcohols","Secondary carboxylic acid amides","Serine and derivatives","Tertiary alcohols"],"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 gamma amino acids and derivatives. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["serine derivative (CHEBI:26649)","amino acid amide (CHEBI:22475)","pyrimidone (CHEBI:38337)","aminopyrimidine (CHEBI:38338)","pyrans (CHEBI:26407)","hydroxy monocarboxylic acid (CHEBI:35868)","heterocyclic compound (CHEBI:5686)","dicarboximide (CHEBI:35356)","organosulfur compound (CHEBI:33261)","pyrimidines (CHEBI:39447)","tertiary alcohol (CHEBI:26878)","organic aromatic compound (CHEBI:33659)","carboxamide (CHEBI:37622)","secondary alcohol (CHEBI:35681)","amino acid (CHEBI:33709)","guanidines (CHEBI:24436)","dipolar compound (CHEBI:51151)","oxacycle (CHEBI:38104)","organonitrogen heterocyclic compound (CHEBI:38101)","organonitrogen compound (CHEBI:35352)","carboxylic acid (CHEBI:33575)","monocarboxylic acid (CHEBI:25384)","carbonyl compound (CHEBI:36586)","organic oxide (CHEBI:25701)","aromatic alcohol (CHEBI:33854)","primary alcohol (CHEBI:15734)","alkylamine (CHEBI:13759)","organic molecule (CHEBI:72695)","organooxygen compound (CHEBI:36963)","chemical entity (CHEBI:24431)","organic acid (CHEBI:64709)","organic heterocyclic compound (CHEBI:24532)","diazines (CHEBI:38313)","hydroxy carboxylic acid (CHEBI:24669)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","amide (CHEBI:32988)","nitrogen molecular entity (CHEBI:51143)","amine (CHEBI:32952)","primary amine (CHEBI:32877)","carboxylic acid anion (CHEBI:29067)","peptide (CHEBI:16670)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Pyrimidine nucleosides"],"pathway_results":["Carbohydrates"],"superclass_results":["Nucleosides"]}}