{"id":7527,"npaid":"NPA007527","original_name":"Agaricoglyceride D","mol_formula":"C19H14Cl4O8","mol_weight":"512.1250","exact_mass":"509.9443","inchikey":"NBEFHJADFQAZKV-UHFFFAOYSA-N","smiles":"CC(=O)OC(COC(=O)C1=CC(=C(C(=C1)Cl)O)Cl)COC(=O)C2=CC(=C(C(=C2)Cl)O)Cl","cluster_id":3352,"node_id":2536,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H14Cl4O8/c1-8(24)31-11(6-29-18(27)9-2-12(20)16(25)13(21)3-9)7-30-19(28)10-4-14(22)17(26)15(23)5-10/h2-5,11,25-26H,6-7H2,1H3","m_plus_h":"510.9516","m_plus_na":"532.9335","origin_reference":{"doi":"10.1038/ja.2005.105","pmid":16506695,"authors":"Stadler, Marc; Hellwig, Veronika; Mayer-Bartschmid, Anke; Denzer, Dirk; Wiese, Burkhard; Burkhardt, Nils","title":"Novel analgesic triglycerides from cultures of Agaricus macrosporus and other basidiomycetes as selective inhibitors of neurolysin","journal":"Journal of Antibiotics","year":2005,"volume":"58","issue":"12","pages":"775-786"},"origin_organism":{"id":938,"type":"Fungus","genus":"Agaricus","species":"macrosporus","taxon":{"id":1369,"name":"Agaricus","rank":"genus","taxon_db":"mycobank","external_id":"17030","ncbi_id":5340,"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":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1367,"name":"Agaricales","rank":"order","taxon_db":"mycobank","external_id":"90508","ncbi_id":5338},{"id":1368,"name":"Agaricaceae","rank":"family","taxon_db":"mycobank","external_id":"80434","ncbi_id":5339}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1038/ja.2005.105","structure_smiles":"CC(=O)OC(COC(=O)C1=CC(=C(C(=C1)Cl)O)Cl)COC(=O)C2=CC(=C(C(=C2)Cl)O)Cl","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0006236"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002279","name":"Benzene and substituted derivatives","chemont_id":"CHEMONTID:0002279","description":"Aromatic compounds containing one monocyclic ring system consisting of benzene."},"smiles":"CC(=O)OC(COC(=O)C1=CC(Cl)=C(O)C(Cl)=C1)COC(=O)C1=CC(Cl)=C(O)C(Cl)=C1","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=NBEFHJADFQAZKV-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000176","name":"Benzoic acids and derivatives","chemont_id":"CHEMONTID:0000176","description":"Organic compounds containing a carboxylic acid substituent attached to a benzene ring."},"ancestors":["3-halobenzoic acids and derivatives","Aryl chlorides","Aryl halides","Benzene and substituted derivatives","Benzenoids","Benzoic acid esters","Benzoic acids and derivatives","Benzoyl derivatives","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Chlorobenzenes","Chlorophenols","Dichlorobenzenes","Glycerolipids","Halobenzenes","Halobenzoic acids and derivatives","Halophenols","Hydrocarbon derivatives","Lipids and lipid-like molecules","O-chlorophenols","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organooxygen compounds","Phenols","Tricarboxylic acids and derivatives","p-Hydroxybenzoic acid alkyl esters","p-Hydroxybenzoic acid esters"],"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 p-hydroxybenzoic acid alkyl esters. 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