{"id":7694,"npaid":"NPA007694","original_name":"Coeligiosin B","mol_formula":"C40H58N4O","mol_weight":"610.9310","exact_mass":"610.4611","inchikey":"OOHPMURDIUCNIG-PMERELPUSA-N","smiles":"CCCCCCCCCCCC1=NC(=C(C2=C(OC)C=C(C3=CC=CN3)N2)C2=C3C=C(CCCCCC[C@@H]3CCCC)N2)C=C1","cluster_id":286,"node_id":259,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C40H58N4O/c1-4-6-8-9-10-11-12-13-17-22-31-25-26-35(42-31)38(40-37(45-3)29-36(44-40)34-24-19-27-41-34)39-33-28-32(43-39)23-18-15-14-16-21-30(33)20-7-5-2/h19,24-30,41,43-44H,4-18,20-23H2,1-3H3/t30-/m0/s1","m_plus_h":"611.4684","m_plus_na":"633.4503","origin_reference":{"doi":"10.1002/chem.201405733","pmid":25760402,"authors":"Morgenstern, Anne; Paetz, Christian; Behrend, Anne; Spiteller, Dieter","title":"Divalent Transition-Metal-Ion Stress Induces Prodigiosin Biosynthesis in Streptomyces coelicolor M145: Formation of Coeligiosins","journal":"Chemistry - A European Journal","year":2015,"volume":"21","issue":"16","pages":"6027-6032"},"origin_organism":{"id":314,"type":"Bacterium","genus":"Streptomyces","species":"coelicolor M145","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":"10.1002/chem.201405733","structure_smiles":"CCCCCCCCCCCC1=NC(=C(C2=C(OC)C=C(C3=CC=CN3)N2)C2=C3C=C(CCCCCC[C@@H]3CCCC)N2)C=C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013878"}],"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":"CCCCCCCCCCCC1=NC(C=C1)=C(C1=C(OC)C=C(N1)C1=CC=CN1)C1=C2C=C(CCCCCCC2CCCC)N1","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=OOHPMURDIUCNIG-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000254","name":"Ethers","chemont_id":"CHEMONTID:0000254","description":"Compounds bearing an ether group with the formula Compounds ROR (R not H)."},"ancestors":["Alkyl aryl ethers","Azacyclic compounds","Chemical entities","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Imines","Ketimines","Organic 1,3-dipolar compounds","Organic compounds","Organic nitrogen compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Propargyl-type 1,3-dipolar organic compounds","Pyrroles","Substituted pyrroles"],"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 alkyl aryl ethers. 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