{"id":8563,"npaid":"NPA008563","original_name":"Etnangien","mol_formula":"C49H76O11","mol_weight":"841.1360","exact_mass":"840.5388","inchikey":"VHPBIOVAVQXSJO-DLGDGFEOSA-N","smiles":"CO[C@@H]1C/C=C\\C=C\\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C[C@H](O)/C=C(\\C)CCC(=O)O)C[C@H](O)CCC1","cluster_id":3649,"node_id":2742,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C49H76O11/c1-34(22-17-13-11-9-8-10-12-14-19-24-40(50)30-35(2)28-29-46(54)55)31-43(52)37(4)45-32-41(51)25-21-27-42(59-7)26-20-16-15-18-23-36(3)48(57)39(6)49(58)38(5)44(53)33-47(56)60-45/h8-20,22,30-31,36-45,48-53,57-58H,21,23-29,32-33H2,1-7H3,(H,54,55)/b9-8+,12-10+,13-11+,18-15+,19-14+,20-16-,22-17+,34-31+,35-30+/t36-,37+,38+,39-,40-,41+,42+,43+,44+,45-,48+,49-/m0/s1","m_plus_h":"841.5461","m_plus_na":"863.5280","origin_reference":{"doi":"10.1021/np070115h","pmid":17547459,"authors":"Irschik, Herbert; Schummer, Dietmar; Hoefle, Gerhard; Reichenbach, Hans; Steinmetz, Heinrich; Jansen, Rolf","title":"Etnangien, a macrolide-polyene antibiotic from Sorangium cellulosum that inhibits nucleic acid polymerases","journal":"Journal of Natural Products","year":2007,"volume":"70","issue":"6","pages":"1060-1063"},"origin_organism":{"id":3661,"type":"Bacterium","genus":"Sorangium","species":"cellulosum strain So ce750","taxon":{"id":182,"name":"Sorangium","rank":"genus","taxon_db":"lpsn","external_id":"516617","ncbi_id":39643,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":168,"name":"Deltaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28221},{"id":169,"name":"Myxococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":29},{"id":177,"name":"Polyangiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":49}]}},"syntheses":["10.1021/ja9056163","10.1021/jo100201f","10.1016/j.bmcl.2009.12.066"],"reassignments":[{"reference_doi":"10.1021/ja804194c","structure_smiles":"CO[C@@H]1C/C=C\\C=C\\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C[C@H](O)/C=C(\\C)CCC(=O)O)C[C@H](O)CCC1"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.1021/np070115h","structure_smiles":"CC1C/C=C/C=C\\CC(CCCC(CC(OC(=O)CC(C(C(C(C1O)C)O)C)O)C(C)C(/C=C(\\C)/C=C/C=C/C=C/C=C/C=C/CC(/C=C(\\C)/CCC(=O)O)O)O)O)OC","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/ja804194c","structure_smiles":"CO[C@@H]1C/C=C\\C=C\\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C[C@H](O)/C=C(\\C)CCC(=O)O)C[C@H](O)CCC1","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000179"},{"external_db_name":"npmrd","external_db_code":"NP0007089"},{"external_db_name":"npmrd","external_db_code":"NP0283070"}],"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":"COC1CCCC(O)CC(OC(=O)CC(O)C(C)C(O)C(C)C(O)C(C)C\\C=C\\C=C/C1)C(C)C(O)\\C=C(/C)\\C=C\\C=C\\C=C\\C=C\\C=C\\CC(O)\\C=C(/C)CCC(O)=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=VHPBIOVAVQXSJO-LOLCBPPLSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000262","name":"Fatty acids and conjugates","chemont_id":"CHEMONTID:0000262","description":"Aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms)."},"ancestors":["Alcohols and polyols","Branched fatty acids","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Dicarboxylic acids and derivatives","Ethers","Fatty Acyls","Fatty acids and conjugates","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydroxy fatty acids","Lactones","Lipids and lipid-like molecules","Macrolides and analogues","Methyl-branched fatty acids","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Phenylpropanoids and polyketides","Polyols","Secondary alcohols","Unsaturated fatty acids","Very long-chain fatty acids"],"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 very long-chain fatty acids. 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