{"id":10536,"npaid":"NPA010536","original_name":"Pacificanone A","mol_formula":"C20H34O3","mol_weight":"322.4890","exact_mass":"322.2508","inchikey":"JSPPQWVTDRBUIB-VGPDEBLWSA-N","smiles":"CC[C@@H]1C[C@@H]([C@]([C@H](C1=O)C)(/C=C/C(=C/[C@@H](C)[C@H](CC)O)/C)O)C","cluster_id":1552,"node_id":1274,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C20H34O3/c1-7-17-12-15(5)20(23,16(6)19(17)22)10-9-13(3)11-14(4)18(21)8-2/h9-11,14-18,21,23H,7-8,12H2,1-6H3/b10-9+,13-11+/t14-,15+,16+,17-,18+,20+/m1/s1","m_plus_h":"323.2581","m_plus_na":"345.2400","origin_reference":{"doi":"10.1021/np0705155","pmid":18321059,"authors":"Oh, Dong-Chan; Gontang, Erin A.; Kauffman, Christopher A.; Jensen, Paul R.; Fenical, William","title":"Salinipyrones and pacificanones, mixed-precursor polyketides from the marine actinomycete Salinispora pacifica","journal":"Journal of Natural Products","year":2008,"volume":"71","issue":"4","pages":"570-575"},"origin_organism":{"id":1679,"type":"Bacterium","genus":"Salinispora","species":"pacifica","taxon":{"id":255,"name":"Salinispora","rank":"genus","taxon_db":"lpsn","external_id":"516542","ncbi_id":168694,"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":246,"name":"Micromonosporales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85008},{"id":247,"name":"Micromonosporaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":28056}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np0705155","structure_smiles":"CC[C@@H]1C[C@@H]([C@]([C@H](C1=O)C)(/C=C/C(=C/[C@@H](C)[C@H](CC)O)/C)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001830"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000001615%Pacificanone A%1!CCMSLIB00000001616%Pacificanone A%1"},{"external_db_name":"npmrd","external_db_code":"NP0007638"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003909","name":"Fatty Acyls","chemont_id":"CHEMONTID:0003909","description":"Organic molecules synthesized by chain elongation of an acetyl-CoA primer with malonyl-CoA (or methylmalonyl-CoA) groups that might contain a cyclic functionality and/or are substituted with heteroatoms."},"smiles":"[H]\\C(=C(\\[H])[C@]1(O)[C@@]([H])(C)C[C@@]([H])(CC)C(=O)[C@]1([H])C)\\C(\\C)=C(/[H])[C@@]([H])(C)[C@@]([H])(O)CC","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=JSPPQWVTDRBUIB-VGPDEBLWSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001334","name":"Fatty alcohols","chemont_id":"CHEMONTID:0001334","description":"Aliphatic alcohols consisting of a chain of a least six carbon atoms."},"ancestors":["Alcohols and polyols","Carbonyl compounds","Chemical entities","Cyclic alcohols and derivatives","Cyclic ketones","Fatty Acyls","Fatty alcohols","Hydrocarbon derivatives","Ketones","Lipids and lipid-like molecules","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Secondary alcohols","Tertiary alcohols"],"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 fatty alcohols. 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