{"id":32941,"npaid":"NPA032941","original_name":"Brasiliamide I","mol_formula":"C22H28N2O4","mol_weight":"384.4760","exact_mass":"384.2049","inchikey":"PZFQCYWITYPTOJ-OALUTQOASA-N","smiles":"COC1=CC(C[C@H]2CN(C(C)=O)[C@@H](CC3=CC=CC=C3)CN2)=CC(OC)=C1O","cluster_id":3448,"node_id":2606,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H28N2O4/c1-15(25)24-14-18(23-13-19(24)10-16-7-5-4-6-8-16)9-17-11-20(27-2)22(26)21(12-17)28-3/h4-8,11-12,18-19,23,26H,9-10,13-14H2,1-3H3/t18-,19-/m0/s1","m_plus_h":"385.2122","m_plus_na":"407.1941","origin_reference":{"doi":"10.1007/s00253-020-10678-w","pmid":32436033,"authors":"Yuan, Bochuan; Liu, Dong; Guan, Xin; Yan, Yunchen; Zhang, Jianping; Zhang, Yiping; Yang, Donghui; Ma, Ming; Lin, Wenhan","title":"Piperazine ring formation by a single-module NRPS and cleavage by an α-KG-dependent nonheme iron dioxygenase in brasiliamide biosynthesis","journal":"Applied Microbiology and Biotechnology","year":2020,"volume":"104","issue":"14","pages":"6149-6159"},"origin_organism":{"id":10668,"type":"Fungus","genus":"Penicillium","species":"brasilianum WZXY-M122-9","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":"10.1007/s00253-020-10678-w","structure_smiles":"COC1=CC(C[C@H]2CN(C(C)=O)[C@@H](CC3=CC=CC=C3)CN2)=CC(OC)=C1O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002278"},{"external_db_name":"npmrd","external_db_code":"NP0331154"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000134","name":"Phenols","chemont_id":"CHEMONTID:0000134","description":"Compounds containing a phenol moiety, which is a benzene bearing a hydroxyl group."},"smiles":"COC1=CC(C[C@H]2CN([C@@H](CC3=CC=CC=C3)CN2)C(C)=O)=CC(OC)=C1O","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=PZFQCYWITYPTOJ-OALUTQOASA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000190","name":"Methoxyphenols","chemont_id":"CHEMONTID:0000190","description":"Compounds containing a methoxy group attached to the benzene ring of a phenol moiety."},"ancestors":["Acetamides","Alkyl aryl ethers","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Anisoles","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Dialkylamines","Diazinanes","Ethers","Hydrocarbon derivatives","Methoxybenzenes","Methoxyphenols","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenol ethers","Phenols","Phenoxy compounds","Piperazines","Secondary amines","Tertiary carboxylic acid amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},"description":"This compound belongs to the class of organic compounds known as methoxyphenols. 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