{"id":33042,"npaid":"NPA033042","original_name":"Flavunoidine","mol_formula":"C30H53N3O3","mol_weight":"503.7720","exact_mass":"503.4087","inchikey":"ANNRITYMAUJQPW-ZYBQPFPISA-N","smiles":"C[C@@H]1CC[C@@H]2[C@]3(C)OC4(C)CC(OC(=O)[C@@H]5CCC(C)(C)CN5)[C@@]21C[C@@H]4[C@@H]3NCCCCCN(C)C","cluster_id":9528,"node_id":6380,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H53N3O3/c1-20-11-12-23-29(5)25(31-15-9-8-10-16-33(6)7)21-17-30(20,23)24(18-28(21,4)36-29)35-26(34)22-13-14-27(2,3)19-32-22/h20-25,31-32H,8-19H2,1-7H3/t20-,21-,22+,23-,24?,25+,28?,29+,30-/m1/s1","m_plus_h":"504.4160","m_plus_na":"526.3979","origin_reference":{"doi":"10.1021/jacs.9b13046","pmid":31885262,"authors":"Yee, Danielle A; Kakule, Thomas B; Cheng, Wei; Chen, Mengbin; Chong, Christine T Y; Hai, Yang; Hang, Leibniz F; Hung, Yiu-Sun; Liu, Nicholas; Ohashi, Masao; Okorafor, Ikechukwu C; Song, Yongxiang; Tang, Mancheng; Zhang, Zhuan; Tang, Yi","title":"Genome Mining of Alkaloidal Terpenoids from a Hybrid Terpene and Nonribosomal Peptide Biosynthetic Pathway.","journal":"Journal of the American Chemical Society","year":2020,"volume":"142","issue":"2","pages":"710-714"},"origin_organism":{"id":1340,"type":"Fungus","genus":"Aspergillus","species":"flavus","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":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/jacs.9b13046","structure_smiles":"C[C@@H]1CC[C@@H]2[C@]3(C)OC4(C)CC(OC(=O)[C@@H]5CCC(C)(C)CN5)[C@@]21C[C@@H]4[C@@H]3NCCCCCN(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002248"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000259","name":"Prenol lipids","chemont_id":"CHEMONTID:0000259","description":"Lipids synthesized from the five-carbon-unit precursors isopentenyl diphosphate and dimethylallyl diphosphate."},"smiles":"C[C@@H]1CC[C@@H]2[C@]3(C)OC4(C)CC(OC(=O)[C@@H]5CCC(C)(C)CN5)[C@]12C[C@@H]4[C@@H]3NCCCCCN(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=ANNRITYMAUJQPW-ZYBQPFPISA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001550","name":"Sesquiterpenoids","chemont_id":"CHEMONTID:0001550","description":"Terpenes with three consecutive isoprene units."},"ancestors":["Alpha amino acid esters","Alpha amino acids and derivatives","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Dialkylamines","Ethers","Fatty Acyls","Fatty acid esters","Hydrocarbon derivatives","Lipids and lipid-like molecules","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","Oxepanes","Piperidinecarboxylic acids","Piperidinecarboxylic acids and derivatives","Piperidines","Prenol lipids","Secondary amines","Sesquiterpenoids","Tertiary amines","Tetrahydrofurans","Trialkylamines"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as sesquiterpenoids. 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