{"id":28985,"npaid":"NPA028985","original_name":"Verruculotoxin","mol_formula":"C15H20N2O","mol_weight":"244.3380","exact_mass":"244.1576","inchikey":"CUANCTHYEDWUMU-KBPBESRZSA-N","smiles":"O=C1N[C@@H](CC2=CC=CC=C2)CN2CCCC[C@@H]12","cluster_id":8574,"node_id":5805,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H20N2O/c18-15-14-8-4-5-9-17(14)11-13(16-15)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,18)/t13-,14-/m0/s1","m_plus_h":"245.1649","m_plus_na":"267.1468","origin_reference":{"doi":"10.1021/ja00417a046","pmid":1244370,"authors":"Macmillan JG; Springer JP; Clardy J; Cole RJ; Kirksey JW","title":"Letter: Structure and synthesis of verruculotoxin, a new mycotoxin from Penicillium verruculosum Peyronel.","journal":"Journal of the American Chemical Society","year":1976,"volume":"98","issue":"1","pages":"246-247"},"origin_organism":{"id":9988,"type":"Fungus","genus":"Penicillium","species":"verruculosum Peyrone","taxon":{"id":1239,"name":"Penicillium","rank":"genus","taxon_db":"mycobank","external_id":"9257","ncbi_id":5073,"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/ja00417a046","structure_smiles":"O=C1N[C@@H](CC2=CC=CC=C2)CN2CCCC[C@@H]12","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"gnps","external_db_code":"CCMSLIB00012134022%Suspect related to NCGC00384659-01_C15H20N2O_2H-Pyrido[1,2-a]pyrazin-1(6H)-one, hexahydro-3-(phenylmethyl)-, (3S,9aS)- (predicted molecular formula SIRIUS: C17H26N2O2S / BUDDY: C20H22N2O2) with delta m/z 78.017 (putative explanation: unspecified; atomic difference: 1C,4H,1N,3O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000850426%NCGC00384659-01_C15H20N2O_2H-Pyrido[1,2-a]pyrazin-1(6H)-one, hexahydro-3-(phenylmethyl)-, (3S,9aS)-%1"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009973819%Suspect related to NCGC00384659-01_C15H20N2O_2H-Pyrido[1,2-a]pyrazin-1(6H)-one, hexahydro-3-(phenylmethyl)-, (3S,9aS)- (predicted molecular formula: C17H26N2O2S) with delta m/z 78.017 (putative explanation: unspecified; atomic difference: 1C,4H,1N,3O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004688529%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710222%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710223%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710224%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710225%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710226%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710227%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710228%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710229%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710230%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710231%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710232%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710233%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710234%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710235%verruculotoxin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004710236%verruculotoxin%3"},{"external_db_name":"npmrd","external_db_code":"NP0004395"}],"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":"O=C1N[C@@H](CC2=CC=CC=C2)CN2CCCC[C@@H]12","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=CUANCTHYEDWUMU-KBPBESRZSA-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":["Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Aralkylamines","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Diazinanes","Hydrocarbon derivatives","Lactams","N-alkylpiperazines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Piperazines","Piperazinopiperidines","Piperidines","Secondary carboxylic acid amides","Tertiary amines","Trialkylamines"],"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 alpha amino acid amides. 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