{"id":19257,"npaid":"NPA019257","original_name":"Penostatin E","mol_formula":"C22H32O3","mol_weight":"344.4950","exact_mass":"344.2351","inchikey":"COBSXLQCUDCOES-YEODYQQJSA-N","smiles":"CCCCCCC[C@H](O)/C=C/C(C)=C\\[C@H]1[C@@H]2CC=CC2=CC(=O)[C@@H]1O","cluster_id":6216,"node_id":529,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H32O3/c1-3-4-5-6-7-10-18(23)13-12-16(2)14-20-19-11-8-9-17(19)15-21(24)22(20)25/h8-9,12-15,18-20,22-23,25H,3-7,10-11H2,1-2H3/b13-12+,16-14-/t18-,19+,20-,22+/m0/s1","m_plus_h":"345.2424","m_plus_na":"367.2243","origin_reference":{"doi":"10.1016/s0040-4020(99)00884-4","pmid":null,"authors":"Iwamoto, Chika; Minoura, Katsuhiko; Oka, Toshihide; Ohta, Takatoshi; Hagishita, Sanji; Numata, Atsushi","title":"Absolute stereostructures of novel cytotoxic metabolites, penostatins A-E, from a Penicillium species separated from an Enteromorpha alga","journal":"Tetrahedron","year":1999,"volume":"55","issue":"50","pages":"14353-14368"},"origin_organism":{"id":113,"type":"Fungus","genus":"Penicillium","species":"sp.","taxon":{"id":1239,"name":"Penicillium","rank":"genus","taxon_db":"mycobank","external_id":"9257","ncbi_id":5073,"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":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":["10.1021/jo501225y"],"reassignments":[{"reference_doi":"10.1021/jo501225y","structure_smiles":"CCCCCCC[C@H](O)/C=C/C(C)=C\\[C@H]1[C@@H]2CC=CC2=CC(=O)[C@@H]1O"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.1016/s0040-4020(99)00884-4","structure_smiles":"CCCCCCCC(/C=C/C(=C\\C1C2CC=CC2=CC(=O)C1O)/C)O","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/jo501225y","structure_smiles":"CCCCCCC[C@H](O)/C=C/C(C)=C\\[C@H]1[C@@H]2CC=CC2=CC(=O)[C@@H]1O","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0307404"}],"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":"CCCCCCCC(O)\\C=C\\C(\\C)=C/C1C2CC=CC2=CC(=O)C1O","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=COBSXLQCUDCOES-LIACPWMRSA-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","Bicyclic monoterpenoids","Carbonyl compounds","Chemical entities","Cyclic ketones","Cyclohexenones","Fatty Acyls","Fatty alcohols","Hydrocarbon derivatives","Ketones","Lipids and lipid-like molecules","Long-chain fatty alcohols","Monoterpenoids","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Prenol lipids","Secondary 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 long-chain fatty alcohols. 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