{"id":23408,"npaid":"NPA023408","original_name":"Trienomycin I","mol_formula":"C28H37NO6","mol_weight":"483.6050","exact_mass":"483.2621","inchikey":"ZDMGJRKPKOPHRY-DLQUQATOSA-N","smiles":"C[C@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=CC(=C2)CC/C=C(\\[C@@H]1O)/C)O)OC)OC(=O)C","cluster_id":100,"node_id":95,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H37NO6/c1-19-11-10-12-22-15-23(17-24(31)16-22)29-27(32)18-25(34-4)13-8-6-5-7-9-14-26(35-21(3)30)20(2)28(19)33/h5-9,11,13,15-17,20,25-26,28,31,33H,10,12,14,18H2,1-4H3,(H,29,32)/b6-5+,9-7+,13-8+,19-11-/t20-,25-,26-,28-/m0/s1","m_plus_h":"484.2694","m_plus_na":"506.2513","origin_reference":{"doi":"10.3390/md16080282","pmid":30111735,"authors":"Fan, Yaqin; Wang, Cong; Wang, Liping; Chairoungdua, Arthit; Piyachaturawat, Pawinee; Fu, Peng; Zhu, Weiming","title":"New ansamycins from the deep-sea-derived bacterium ochrobactrum sp. OUCMDZ-2164","journal":"Marine Drugs","year":2018,"volume":"16","issue":"8","pages":null},"origin_organism":{"id":8004,"type":"Bacterium","genus":"Ochrobactrum","species":"sp. OUCMDZ-2164","taxon":{"id":25,"name":"Ochrobactrum","rank":"genus","taxon_db":"lpsn","external_id":"516200","ncbi_id":528,"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":3,"name":"Alphaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28211},{"id":12,"name":"Rhizobiales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":24,"name":"Brucellaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":118882}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3390/md16080282","structure_smiles":"C[C@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=CC(=C2)CC/C=C(\\[C@@H]1O)/C)O)OC)OC(=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0018585"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000134","name":"Phenols","chemont_id":"CHEMONTID:0000134","description":"Compounds containing a phenol moiety, which is a benzene bearing a hydroxyl group."},"smiles":"[H]\\C1=C(\\[H])/C(/[H])=C(\\[H])/C(/[H])=C([H])/[C@@]([H])(CC(O)=NC2=CC(O)=CC(CC\\C([H])=C(C)/[C@]([H])(O)[C@@]([H])(C)[C@]([H])(C1)OC(C)=O)=C2)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=ZDMGJRKPKOPHRY-DLQUQATOSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004647","name":"1-hydroxy-4-unsubstituted benzenoids","chemont_id":"CHEMONTID:0004647","description":"Phenols that are unsubstituted at the 4-position."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Alcohols and polyols","Azacyclic compounds","Benzenoids","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Dialkyl ethers","Ethers","Hydrocarbon derivatives","Monocarboxylic acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenols","Polyols","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},"description":"This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. 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Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. 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