{"id":1505,"npaid":"NPA001505","original_name":"Baumin","mol_formula":"C27H22O11","mol_weight":"522.4620","exact_mass":"522.1162","inchikey":"JZRMMLYGOBWIGY-HZFVGLMFSA-N","smiles":"COC(=O)CC1=CC(=O)[C@@H]([C@H](O1)C2=CC(=C(C=C2)O)O)C3=C(C=C(OC3=O)/C=C/C4=CC(=C(C=C4)O)O)O","cluster_id":982,"node_id":846,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C27H22O11/c1-36-23(34)12-16-11-21(32)24(26(37-16)14-4-7-18(29)20(31)9-14)25-22(33)10-15(38-27(25)35)5-2-13-3-6-17(28)19(30)8-13/h2-11,24,26,28-31,33H,12H2,1H3/b5-2+/t24-,26-/m1/s1","m_plus_h":"523.1235","m_plus_na":"545.1054","origin_reference":{"doi":"10.1016/j.bmcl.2010.07.093","pmid":20708931,"authors":"Lee, In-Kyoung; Han, Myung-Suk; Lee, Myeong-Seok; Kim, Young-Sook; Yun, Bong-Sik","title":"Styrylpyrones from the medicinal fungus Phellinus baumii and their antioxidant properties","journal":"Bioorganic and Medicinal Chemistry Letters","year":2010,"volume":"20","issue":"18","pages":"5459-5461"},"origin_organism":{"id":1103,"type":"Fungus","genus":"Phellinus","species":"baumii","taxon":{"id":1637,"name":"Phellinus","rank":"genus","taxon_db":"mycobank","external_id":"18246","ncbi_id":40470,"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":1632,"name":"Hymenochaetales","rank":"order","taxon_db":"mycobank","external_id":"90548","ncbi_id":139380},{"id":1633,"name":"Hymenochaetaceae","rank":"family","taxon_db":"mycobank","external_id":"536196","ncbi_id":40424}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.bmcl.2010.07.093","structure_smiles":"COC(=O)CC1=CC(=O)[C@@H]([C@H](O1)C2=CC(=C(C=C2)O)O)C3=C(C=C(OC3=O)/C=C/C4=CC(=C(C=C4)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0009413"}],"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":"COC(=O)CC1=CC(=O)[C@@H]([C@H](O1)c1ccc(O)c(O)c1)C1=C(O)C=C(OC1=O)\\C=C\\c1ccc(O)c(O)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=JZRMMLYGOBWIGY-HZFVGLMFSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001286","name":"Benzenediols","chemont_id":"CHEMONTID:0001286","description":"Organic compounds containing two hydroxyl groups attached to a benzene ring."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Benzene and substituted derivatives","Benzenediols","Benzenoids","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Catechols","Chemical entities","Cyclic ketones","Dihydropyranones","Heteroaromatic compounds","Hydrocarbon derivatives","Ketones","Lactones","Methyl esters","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Phenols","Pyranones and derivatives","Pyrans","Styrenes","Vinylogous acids","Vinylogous 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 catechols. 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