{"id":4754,"npaid":"NPA004754","original_name":"16-deethylindanomycin methyl ester","mol_formula":"C30H41NO4","mol_weight":"479.6610","exact_mass":"479.3036","inchikey":"HGSNVZBVAOWESL-MZJPYIAYSA-N","smiles":"CC/C(=C\\C=C\\[C@H]1C=C[C@H]2CCC[C@@H]2[C@H]1C(=O)C3=CC=CN3)/[C@@H]4[C@@H](CC[C@H](O4)[C@@H](C)C(=O)OC)C","cluster_id":1263,"node_id":1071,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H41NO4/c1-5-21(29-19(2)14-17-26(35-29)20(3)30(33)34-4)9-6-11-23-16-15-22-10-7-12-24(22)27(23)28(32)25-13-8-18-31-25/h6,8-9,11,13,15-16,18-20,22-24,26-27,29,31H,5,7,10,12,14,17H2,1-4H3/b11-6+,21-9+/t19-,20-,22-,23+,24+,26+,27+,29+/m1/s1","m_plus_h":"480.3109","m_plus_na":"502.2928","origin_reference":{"doi":"10.1080/14786419.2013.793688","pmid":23639115,"authors":"Lian, Xiao-Yuan; Zhang, Zhizhen","title":"Indanomycin-related antibiotics from marine Streptomyces antibioticus PTZ0016","journal":"Natural Product Research","year":2013,"volume":"27","issue":"23","pages":"2161-2167"},"origin_organism":{"id":2445,"type":"Bacterium","genus":"Streptomyces","species":"antibioticus PTZ0016","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":"10.1080/14786419.2013.793688","structure_smiles":"CC/C(=C\\C=C\\[C@H]1C=C[C@H]2CCC[C@@H]2[C@H]1C(=O)C3=CC=CN3)/[C@@H]4[C@@H](CC[C@H](O4)[C@@H](C)C(=O)OC)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0011745"}],"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":"CC\\C(=C/C=C/[C@H]1C=C[C@H]2CCC[C@@H]2[C@H]1C(=O)c1ccc[nH]1)[C@H]1O[C@@H](CC[C@H]1C)[C@@H](C)C(=O)OC","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=HGSNVZBVAOWESL-MZJPYIAYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},"ancestors":["Aryl alkyl ketones","Aryl ketones","Azacyclic compounds","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Ketones","Methyl esters","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","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 aryl alkyl ketones. 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