{"id":22231,"npaid":"NPA022231","original_name":"Streptoone A","mol_formula":"C24H40O2","mol_weight":"360.5820","exact_mass":"360.3028","inchikey":"CLTCZDNSFUWVFV-WSJIJHNASA-N","smiles":"CCC(=O)CC/C(=C/CC/C(=C/CC/C=C/C(C)CC(C)C(=O)C)/C)/C","cluster_id":6851,"node_id":4736,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C24H40O2/c1-7-24(26)17-16-20(3)15-11-14-19(2)12-9-8-10-13-21(4)18-22(5)23(6)25/h10,12-13,15,21-22H,7-9,11,14,16-18H2,1-6H3/b13-10+,19-12+,20-15+","m_plus_h":"361.3101","m_plus_na":"383.2920","origin_reference":{"doi":"10.1021/acs.jnatprod.6b01016","pmid":28294616,"authors":"Tian, Hui; Shafi, Jamil; Ji, Mingshan; Bi, Yuhui; Yu, Zhiguo","title":"Antimicrobial Metabolites from Streptomyces sp. SN0280","journal":"Journal of Natural Products","year":2017,"volume":"80","issue":"4","pages":"1015-1019"},"origin_organism":{"id":7172,"type":"Bacterium","genus":"Streptomyces","species":"sp. SN0280","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.jnatprod.6b01016","structure_smiles":"CCC(=O)CC/C(=C/CC/C(=C/CC/C=C/C(C)CC(C)C(=O)C)/C)/C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0016362"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000259","name":"Prenol lipids","chemont_id":"CHEMONTID:0000259","description":"Lipids synthesized from the five-carbon-unit precursors isopentenyl diphosphate and dimethylallyl diphosphate."},"smiles":"[H]\\C(CC\\C([H])=C(/C)CC\\C([H])=C(/C)CCC(=O)CC)=C(\\[H])C(C)CC(C)C(C)=O","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=CLTCZDNSFUWVFV-WSJIJHNASA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001549","name":"Monoterpenoids","chemont_id":"CHEMONTID:0001549","description":"Compounds containing a chain of two isoprene units."},"ancestors":["Acyclic monoterpenoids","Carbonyl compounds","Chemical entities","Hydrocarbon derivatives","Ketones","Lipids and lipid-like molecules","Monoterpenoids","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Prenol lipids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.","substituents":["Acyclic monoterpenoid","Ketone","Organic oxygen compound","Organic oxide","Hydrocarbon derivative","Organooxygen compound","Carbonyl group","Aliphatic acyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001127","name":"Acyclic monoterpenoids","chemont_id":"CHEMONTID:0001127","description":"Monoterpenes that do not contain a cycle."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000118","name":"Ketones","chemont_id":"CHEMONTID:0000118","description":"Organic compounds  in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol."},{"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."}],"molecular_framework":"Aliphatic acyclic compounds","external_descriptors":[],"predicted_chebi_terms":["ketone (CHEBI:17087)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","monoterpenoid (CHEBI:25409)","chemical entity (CHEBI:24431)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)","carbonyl compound (CHEBI:36586)","lipid (CHEBI:18059)","ether lipid (CHEBI:64611)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Acyclic monoterpenoids (PR010201)","Prenol Lipids (PR)","C10 isoprenoids (monoterpenes) (PR0102)"]},"npclassifier":{"isglycoside":false,"class_results":["Open-chain polyketides"],"pathway_results":["Polyketides"],"superclass_results":["Linear polyketides"]}}