{"id":33182,"npaid":"NPA033182","original_name":"Hancockiamide D","mol_formula":"C20H26N2O3","mol_weight":"342.4390","exact_mass":"342.1943","inchikey":"XSGLOXNZKHLMNE-IRXDYDNUSA-N","smiles":"COC1=CC(C[C@H]2CN[C@@H](CC3=CC=CC=C3)CN2)=CC(OC)=C1O","cluster_id":3448,"node_id":2606,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C20H26N2O3/c1-24-18-10-15(11-19(25-2)20(18)23)9-17-13-21-16(12-22-17)8-14-6-4-3-5-7-14/h3-7,10-11,16-17,21-23H,8-9,12-13H2,1-2H3/t16-,17-/m0/s1","m_plus_h":"343.2016","m_plus_na":"365.1835","origin_reference":{"doi":"10.1039/d0ob02243h","pmid":33242032,"authors":"Li, Hang; Lacey, Alastair E; Shu, Si; Kalaitzis, John A; Vuong, Daniel; Crombie, Andrew; Hu, Jinyu; Gilchrist, Cameron L M; Lacey, Ernest; Piggott, Andrew M; Chooi, Yit-Heng","title":"Hancockiamides: phenylpropanoid piperazines from Aspergillus hancockii are biosynthesised by a versatile dual single-module NRPS pathway.","journal":"Organic & Biomolecular Chemistry","year":2021,"volume":"19","issue":"3","pages":"587-595"},"origin_organism":{"id":10732,"type":"Fungus","genus":"Aspergillus","species":"hancockii","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":"10.1039/d0ob02243h","structure_smiles":"COC1=CC(C[C@H]2CN[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":"BGC0002264"}],"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)=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=XSGLOXNZKHLMNE-IRXDYDNUSA-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":["Alkyl aryl ethers","Amines","Anisoles","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Chemical entities","Dialkylamines","Diazinanes","Ethers","Hydrocarbon derivatives","Methoxybenzenes","Methoxyphenols","Organic compounds","Organic nitrogen compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenol ethers","Phenols","Phenoxy compounds","Piperazines","Secondary amines"],"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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