{"id":9030,"npaid":"NPA009030","original_name":"Inonoblin C","mol_formula":"C25H18O9","mol_weight":"462.4100","exact_mass":"462.0951","inchikey":"WJHRLIAIIVRKTD-DUXPYHPUSA-N","smiles":"CC1=CC(=O)C=C(O1)C2=CC(=C(C=C2C3=C(C=C(OC3=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O","cluster_id":3791,"node_id":846,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H18O9/c1-12-6-14(26)8-23(33-12)16-10-20(29)21(30)11-17(16)24-22(31)9-15(34-25(24)32)4-2-13-3-5-18(27)19(28)7-13/h2-11,27-31H,1H3/b4-2+","m_plus_h":"463.1024","m_plus_na":"485.0843","origin_reference":{"doi":"10.1016/j.bmcl.2007.10.072","pmid":17980585,"authors":"Lee, In-Kyoung; Kim, Young-Sook; Jang, Yoon-Woo; Jung, Jin-Young; Yun, Bong-Sik","title":"New antioxidant polyphenols from the medicinal mushroom Inonotus obliquus","journal":"Bioorganic and Medicinal Chemistry Letters","year":2007,"volume":"17","issue":"24","pages":"6678-6681"},"origin_organism":{"id":127,"type":"Fungus","genus":"Inonotus","species":"obliquus","taxon":{"id":1636,"name":"Inonotus","rank":"genus","taxon_db":"mycobank","external_id":"17854","ncbi_id":40468,"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.2007.10.072","structure_smiles":"CC1=CC(=O)C=C(O1)C2=CC(=C(C=C2C3=C(C=C(OC3=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0007399"}],"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":"CC1=CC(=O)C=C(O1)c1cc(O)c(O)cc1C1=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=WJHRLIAIIVRKTD-DUXPYHPUSA-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","Catechols","Chemical entities","Cyclic ketones","Heteroaromatic compounds","Hydrocarbon derivatives","Ketones","Lactones","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"],"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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