{"id":22139,"npaid":"NPA022139","original_name":"Spiroapplanatumine H","mol_formula":"C16H14O6","mol_weight":"302.2820","exact_mass":"302.0790","inchikey":"TWZIYFUINRYVHC-BLLLJJGKSA-N","smiles":"C1C[C@H]([C@]2(CC(=C1)C=O)C(=O)C3=C(O2)C=CC(=C3)O)C(=O)O","cluster_id":6830,"node_id":4720,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C16H14O6/c17-8-9-2-1-3-12(15(20)21)16(7-9)14(19)11-6-10(18)4-5-13(11)22-16/h2,4-6,8,12,18H,1,3,7H2,(H,20,21)/t12-,16+/m0/s1","m_plus_h":"303.0863","m_plus_na":"325.0682","origin_reference":{"doi":"10.1021/acs.jnatprod.6b00431","pmid":27996259,"authors":"Luo, Qi; Wei, Xiao-Yi; Yang, Jing; Luo, Jin-Feng; Liang, Rui; Tu, Zheng-Chao; Cheng, Yong-Xian","title":"Spiro meroterpenoids from Ganoderma applanatum","journal":"Journal of Natural Products","year":2017,"volume":"80","issue":"1","pages":"61-70"},"origin_organism":{"id":106,"type":"Fungus","genus":"Ganoderma","species":"applanatum","taxon":{"id":1515,"name":"Ganoderma","rank":"genus","taxon_db":"mycobank","external_id":"17639","ncbi_id":5314,"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":1511,"name":"Polyporales","rank":"order","taxon_db":"mycobank","external_id":"90565","ncbi_id":5303},{"id":1512,"name":"Ganodermataceae","rank":"family","taxon_db":"mycobank","external_id":"80782","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.jnatprod.6b00431","structure_smiles":"C1C[C@H]([C@]2(CC(=C1)C=O)C(=O)C3=C(O2)C=CC(=C3)O)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"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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These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.","substituents":["Coumaran","Benzofuran","Aryl alkyl ketone","Aryl ketone","1-hydroxy-2-unsubstituted benzenoid","Alkyl aryl ether","Benzenoid","Ketone","Oxacycle","Monocarboxylic acid or derivatives","Ether","Carboxylic acid","Carboxylic acid derivative","Organic oxygen compound","Organic oxide","Hydrocarbon derivative","Organooxygen compound","Carbonyl group","Aldehyde","Aromatic heteropolycyclic compound"],"direct_parent":{"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."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000124","name":"Aldehydes","chemont_id":"CHEMONTID:0000124","description":"Organic compounds containing the aldehyde functional group."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["1-benzofurans (CHEBI:38830)","aromatic ketone (CHEBI:76224)","aromatic ether (CHEBI:35618)","phenols (CHEBI:33853)","oxacycle (CHEBI:38104)","carbonyl compound (CHEBI:36586)","carboxylic acid (CHEBI:33575)","carboxylic acid anion (CHEBI:29067)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","aldehyde (CHEBI:17478)","benzofurans (CHEBI:35259)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)","ketone (CHEBI:17087)","ether (CHEBI:25698)","benzenoid aromatic compound (CHEBI:33836)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Benzofuranoids (PK1310)"]},"npclassifier":{"isglycoside":false,"class_results":["Spriromeroterpenoids"],"pathway_results":["Terpenoids"],"superclass_results":["Meroterpenoids"]}}