{"id":5677,"npaid":"NPA005677","original_name":"Cyathusal A","mol_formula":"C17H14O7","mol_weight":"330.2920","exact_mass":"330.0740","inchikey":"SHZXMBWJQUATLH-ONEGZZNKSA-N","smiles":"C/C=C/C1=CC2=C(C3=C(CO2)C(=C(C(=C3O)O)OC)C=O)C(=O)O1","cluster_id":1443,"node_id":1195,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C17H14O7/c1-3-4-8-5-11-13(17(21)24-8)12-10(7-23-11)9(6-18)16(22-2)15(20)14(12)19/h3-6,19-20H,7H2,1-2H3/b4-3+","m_plus_h":"331.0813","m_plus_na":"353.0632","origin_reference":{"doi":"10.1021/np060637h","pmid":17511503,"authors":"Kang, Hahk-Soo; Jun, Eun-Mi; Park, Soon-Hye; Heo, Soo-Jin; Lee, Tae-Soo; Yoo, Ick-Dong; Kim, Jong-Pyung","title":"Cyathusals A, B, and C, antioxidants from the fermented mushroom Cyathus stercoreus","journal":"Journal of Natural Products","year":2007,"volume":"70","issue":"6","pages":"1043-1045"},"origin_organism":{"id":1610,"type":"Fungus","genus":"Cyathus","species":"stercoreus","taxon":{"id":1373,"name":"Cyathus","rank":"genus","taxon_db":"mycobank","external_id":"19085","ncbi_id":68776,"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":"10.1021/np060637h","structure_smiles":"C/C=C/C1=CC2=C(C3=C(CO2)C(=C(C(=C3O)O)OC)C=O)C(=O)O1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0007075"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000123","name":"Benzopyrans","chemont_id":"CHEMONTID:0000123","description":"Organic compounds containing a benzene ring fused to a pyran ring. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[{"source":"CHEBI","source_id":"CHEBI:65702","annotations":["aromatic ether","organic heterotricyclic compound","polyphenol","polyketide","delta-lactone","cyclic ether","arenecarbaldehyde"]}],"predicted_chebi_terms":["methoxybenzene (CHEBI:51683)","pyranone (CHEBI:37963)","arenecarbaldehyde (CHEBI:33855)","aromatic ether (CHEBI:35618)","enone (CHEBI:51689)","enol ether (CHEBI:47985)","organic aromatic compound (CHEBI:33659)","lactone (CHEBI:25000)","oxacycle (CHEBI:38104)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","2-benzopyran (CHEBI:38444)","chemical entity (CHEBI:24431)","benzenoid aromatic compound (CHEBI:33836)","organic heterocyclic compound (CHEBI:24532)","pyrans (CHEBI:26407)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)","carbonyl compound (CHEBI:36586)","aldehyde (CHEBI:17478)","ether (CHEBI:25698)","benzopyran (CHEBI:22727)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Benzopyranoids (PK1311)"]},"npclassifier":{"isglycoside":false,"class_results":["2-pyrone derivatives"],"pathway_results":["Polyketides"],"superclass_results":["Cyclic polyketides"]}}