{"id":15588,"npaid":"NPA015588","original_name":"Sulphureuine F","mol_formula":"C15H24O3","mol_weight":"252.3540","exact_mass":"252.1725","inchikey":"YTPPVTGAFMNBMU-RSPOJEKHSA-N","smiles":"CC1(C)[C@H](O)CC[C@]2(C)[C@H]3C(=O)OC[C@@H]3CC[C@@H]12","cluster_id":5416,"node_id":651,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H24O3/c1-14(2)10-5-4-9-8-18-13(17)12(9)15(10,3)7-6-11(14)16/h9-12,16H,4-8H2,1-3H3/t9-,10-,11+,12+,15-/m0/s1","m_plus_h":"253.1798","m_plus_na":"275.1617","origin_reference":{"doi":"10.1016/j.fitote.2015.01.022","pmid":25665943,"authors":"He, Jiang-Bo; Tao, Jian; Miao, Xi-Song; Bu, Wei; Zhang, Shen; Dong, Ze-Jun; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","title":"Seven new drimane-type sesquiterpenoids from cultures of fungus Laetiporus sulphureus","journal":"Fitoterapia","year":2015,"volume":"102","issue":null,"pages":"1-6"},"origin_organism":{"id":117,"type":"Fungus","genus":"Laetiporus","species":"sulphureus","taxon":{"id":1523,"name":"Laetiporus","rank":"genus","taxon_db":"mycobank","external_id":"17899","ncbi_id":5629,"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":1518,"name":"Fomitopsidaceae","rank":"family","taxon_db":"mycobank","external_id":"81772","ncbi_id":1769247}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.fitote.2015.01.022","structure_smiles":"CC1(C)[C@H](O)CC[C@]2(C)[C@H]3C(=O)OC[C@@H]3CC[C@@H]12","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013799"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001634","name":"Naphthofurans","chemont_id":"CHEMONTID:0001634","description":"Compounds containing a furan ring fused to a naphthalene moiety. 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These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon  made up of two fused benzene rings.","substituents":["Naphthofuran","Gamma butyrolactone","Tetrahydrofuran","Cyclic alcohol","Secondary alcohol","Lactone","Carboxylic acid ester","Oxacycle","Monocarboxylic acid or derivatives","Carboxylic acid derivative","Organic oxygen compound","Organic oxide","Hydrocarbon derivative","Organooxygen compound","Carbonyl group","Alcohol","Aliphatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001634","name":"Naphthofurans","chemont_id":"CHEMONTID:0001634","description":"Compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. 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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)","secondary alcohol (CHEBI:35681)","organic hydroxy compound (CHEBI:33822)","carboxylic ester (CHEBI:33308)","oxacycle (CHEBI:38104)","carbonyl compound (CHEBI:36586)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","naphthofuran (CHEBI:39270)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","lactone (CHEBI:25000)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)","polyol (CHEBI:26191)","alcohol (CHEBI:30879)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Spongiane diterpenoids"],"pathway_results":["Terpenoids"],"superclass_results":["Diterpenoids"]}}