{"id":27279,"npaid":"NPA027279","original_name":"Trichophycin E","mol_formula":"C20H31BrCl2O2","mol_weight":"454.2760","exact_mass":"452.0884","inchikey":"ZCYDJOFQQAFCJI-NZIPSRDRSA-N","smiles":"C[C@H](CC[C@@H](O)C/C(=C/Cl)CCCC#CBr)C[C@@H](C)[C@@H](O)C/C=C/Cl","cluster_id":7073,"node_id":4870,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C20H31BrCl2O2/c1-16(13-17(2)20(25)8-6-12-22)9-10-19(24)14-18(15-23)7-4-3-5-11-21/h6,12,15-17,19-20,24-25H,3-4,7-10,13-14H2,1-2H3/b12-6+,18-15+/t16-,17-,19-,20+/m1/s1","m_plus_h":"453.0957","m_plus_na":"475.0776","origin_reference":{"doi":"10.1021/acs.joc.8b02070","pmid":30280904,"authors":"Bertin MJ; Saurí J; Liu Y; Via CW; Roduit AF; Williamson RT","title":"Trichophycins B-F, Chlorovinylidene-Containing Polyketides Isolated from a Cyanobacterial Bloom.","journal":"Journal of Organic Chemistry","year":2018,"volume":"83","issue":"21","pages":"13256-13266"},"origin_organism":{"id":463,"type":"Bacterium","genus":"Trichodesmium","species":"sp.","taxon":{"id":489,"name":"Trichodesmium","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1205,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":417,"name":"Cyanobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1117},{"id":418,"name":"Cyanophyceae","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":473,"name":"Oscillatoriales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1150},{"id":486,"name":"Microcoleaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1892252}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.joc.8b02070","structure_smiles":"C[C@H](CC[C@@H](O)C/C(=C/Cl)CCCC#CBr)C[C@@H](C)[C@@H](O)C/C=C/Cl","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0018799"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"[H]\\C(Cl)=C(\\[H])C[C@]([H])(O)[C@]([H])(C)C[C@]([H])(C)CC[C@@]([H])(O)C\\C(CCCC#CBr)=C(/[H])Cl","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=ZCYDJOFQQAFCJI-NZIPSRDRSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000129","name":"Alcohols and polyols","chemont_id":"CHEMONTID:0000129","description":"Organic compounds in which at least one hydroxyl functional group (-OH) is bound to a carbon atom, usually connected to other carbon or hydrogen atoms."},"ancestors":["Alcohols and polyols","Chemical entities","Chloroalkenes","Haloacetylenes and derivatives","Haloalkenes","Hydrocarbon derivatives","Organic compounds","Organic oxygen compounds","Organobromides","Organochlorides","Organohalogen compounds","Organooxygen compounds","Secondary alcohols","Vinyl chlorides","Vinyl halides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as secondary alcohols. 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