{"id":16308,"npaid":"NPA016308","original_name":"Phyllostictine A","mol_formula":"C17H27NO5","mol_weight":"325.4050","exact_mass":"325.1889","inchikey":"FLJXRCWDXADIBL-NUTKFTJISA-N","smiles":"CCCCCCC[C@H]1[C@]([C@H](C2=C(O1)C(=C)N(C2=O)OC)O)(C)O","cluster_id":1533,"node_id":1260,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C17H27NO5/c1-5-6-7-8-9-10-12-17(3,21)15(19)13-14(23-12)11(2)18(22-4)16(13)20/h12,15,19,21H,2,5-10H2,1,3-4H3/t12-,15-,17-/m0/s1","m_plus_h":"326.1962","m_plus_na":"348.1781","origin_reference":{"doi":"10.1016/j.tet.2007.12.010","pmid":null,"authors":"Evidente, Antonio; Cimmino, Alessio; Andolfi, Anna; Vurro, Maurizio; Zonno, Maria Chiara; Cantrell, Charles L.; Motta, Andrea","title":"Phyllostictines A-D, oxazatricycloalkenones produced by Phyllosticta cirsii, a potential mycoherbicide for Cirsium arvense biocontrol","journal":"Tetrahedron","year":2008,"volume":"64","issue":"8","pages":"1612-1619"},"origin_organism":{"id":3475,"type":"Fungus","genus":"Phyllosticta","species":"cirsii","taxon":{"id":761,"name":"Phyllosticta","rank":"genus","taxon_db":"mycobank","external_id":"9384","ncbi_id":121621,"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":618,"name":"Dothideomycetes","rank":"class","taxon_db":"mycobank","external_id":"501481","ncbi_id":147541},{"id":748,"name":"Botryosphaeriales","rank":"order","taxon_db":"mycobank","external_id":"501513","ncbi_id":451869},{"id":749,"name":"Botryosphaeriaceae","rank":"family","taxon_db":"mycobank","external_id":"80530","ncbi_id":45131}]}},"syntheses":["10.1039/c8cc03349h"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.tet.2007.12.010","structure_smiles":"CCCCCCC[C@H]1[C@]([C@H](C2=C(O1)C(=C)N(C2=O)OC)O)(C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001741"},{"external_db_name":"npmrd","external_db_code":"NP0298862"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000091","name":"Pyrrolines","chemont_id":"CHEMONTID:0000091","description":"Compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms."},"smiles":"[H][C@]1(O)C2=C(O[C@@]([H])(CCCCCCC)[C@]1(C)O)C(=C)N(OC)C2=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=FLJXRCWDXADIBL-NUTKFTJISA-N","subclass":null,"ancestors":["1,2-diols","Alcohols and polyols","Azacyclic compounds","Carbonyl compounds","Carboxylic acids and derivatives","Chemical entities","Hydrocarbon 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","Polyols","Pyrrolines","Secondary alcohols","Tertiary alcohols","Vinylogous esters"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as pyrrolines. 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