{"id":3703,"npaid":"NPA003703","original_name":"Ribisin C","mol_formula":"C14H14O5","mol_weight":"262.2610","exact_mass":"262.0841","inchikey":"SWZHEXQWHYRGEY-IACUBPJLSA-N","smiles":"CO[C@H]1[C@H](OC)C(=O)C2=C(OC3=CC=CC=C23)[C@@H]1O","cluster_id":1806,"node_id":1464,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C14H14O5/c1-17-13-10(15)9-7-5-3-4-6-8(7)19-12(9)11(16)14(13)18-2/h3-6,11,13-14,16H,1-2H3/t11-,13+,14+/m0/s1","m_plus_h":"263.0914","m_plus_na":"285.0733","origin_reference":{"doi":"10.1021/np300566y","pmid":23215538,"authors":"Liu, Yuhong; Kubo, Miwa; Fukuyama, Yoshiyasu","title":"Nerve growth factor-potentiating benzofuran derivatives from the medicinal fungus Phellinus ribis","journal":"Journal of Natural Products","year":2012,"volume":"75","issue":"12","pages":"2152-2157"},"origin_organism":{"id":1500,"type":"Fungus","genus":"Phellinus","species":"ribis","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":["10.1021/ol403220t"],"reassignments":[{"reference_doi":"10.1021/ol403220t","structure_smiles":"CO[C@H]1[C@H](OC)C(=O)C2=C(OC3=CC=CC=C23)[C@@H]1O"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.1021/np300566y","structure_smiles":"CO[C@H]1[C@@H](C2=C(C3=CC=CC=C3O2)C(=O)[C@@H]1OC)O","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/ol403220t","structure_smiles":"CO[C@H]1[C@H](OC)C(=O)C2=C(OC3=CC=CC=C23)[C@@H]1O","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0011330"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000301","name":"Benzofurans","chemont_id":"CHEMONTID:0000301","description":"Organic compounds containing a benzene ring fused to a furan. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["aromatic ketone (CHEBI:76224)","benzenoid aromatic compound (CHEBI:33836)","organic aromatic compound (CHEBI:33659)","furans (CHEBI:24129)","secondary alcohol (CHEBI:35681)","oxacycle (CHEBI:38104)","ether (CHEBI:25698)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","benzofurans (CHEBI:35259)","chemical entity (CHEBI:24431)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)","carbonyl compound (CHEBI:36586)","ketone (CHEBI:17087)","organic heterocyclic compound (CHEBI:24532)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Benzofuranoids (PK1310)"]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":["Shikimates and Phenylpropanoids"],"superclass_results":[]}}