{"id":24511,"npaid":"NPA024511","original_name":"11,12-epoxy-5,6-seco-1,6(13)-tremuladien-5,12-olide","mol_formula":"C15H20O3","mol_weight":"248.3220","exact_mass":"248.1412","inchikey":"PNOOHEYPHBCQQK-BHDSKKPTSA-N","smiles":"CC1(C[C@@H](C(=C2CO[C@@H]3[C@H]2CC(=O)O3)C1)C=C)C","cluster_id":7494,"node_id":2106,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H20O3/c1-4-9-6-15(2,3)7-11(9)12-8-17-14-10(12)5-13(16)18-14/h4,9-10,14H,1,5-8H2,2-3H3/t9-,10-,14-/m0/s1","m_plus_h":"249.1485","m_plus_na":"271.1304","origin_reference":{"doi":"10.1080/14786419.2016.1261346","pmid":27892688,"authors":"Wang, Fuqian; Ma, Haoran; Hu, Zhengxi; Jiang, Jie; Zhu, Hucheng; Cheng, Lu; Yang, Quanwei; Zhang, Hong; Zhang, Geng; Zhang, Yonghui","title":"Secondary metabolites from Colletotrichum capsici, an endophytic fungus derived from Siegesbeckia pubescens Makino","journal":"Natural Product Research","year":2017,"volume":"31","issue":"16","pages":"1849-1854"},"origin_organism":{"id":1418,"type":"Fungus","genus":"Colletotrichum","species":"capsici","taxon":{"id":1106,"name":"Colletotrichum","rank":"genus","taxon_db":"mycobank","external_id":"7737","ncbi_id":5455,"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":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":1104,"name":"Glomerellales","rank":"order","taxon_db":"mycobank","external_id":"515429","ncbi_id":1028384},{"id":1105,"name":"Glomerellaceae","rank":"family","taxon_db":"mycobank","external_id":"504454","ncbi_id":681950}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1080/14786419.2016.1261346","structure_smiles":"CC1(C[C@@H](C(=C2CO[C@@H]3[C@H]2CC(=O)O3)C1)C=C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0015906"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001816","name":"Furofurans","chemont_id":"CHEMONTID:0001816","description":"Organic compounds containing a two furan rings fused to each other. 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Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["gamma-lactone (CHEBI:37581)","oxolanes (CHEBI:26912)","carboxylic ester (CHEBI:33308)","oxacycle (CHEBI:38104)","carbonyl compound (CHEBI:36586)","acetal (CHEBI:59769)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","furofuran (CHEBI:47790)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","lactone (CHEBI:25000)","organooxygen compound (CHEBI:36963)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","ether (CHEBI:25698)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Tremulane sesquiterpenoids"],"pathway_results":["Terpenoids"],"superclass_results":["Sesquiterpenoids"]}}