{"id":8789,"npaid":"NPA008789","original_name":"Lomaiviticin E","mol_formula":"C70H86N4O24","mol_weight":"1367.4620","exact_mass":"1366.5632","inchikey":"UUFARPZDPLRTPW-YHYZUSIDSA-N","smiles":"CC[C@@]1([C@H](C(=C2C(=CC3=C2C(=C4C(=O)C=CC(=O)C4=C3O)O)[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)O)[C@H]6C(=O)C7=C([C@H]([C@@]6(CC)O[C@H]8C[C@@H]([C@H]([C@@H](O8)C)OC)OC)O[C@@H]9C[C@@H]([C@H]([C@@H](O9)C)N(C)C)O)C(=[N+]=[N-])C1=C7C(=C2C(=O)C=CC(=O)C2=C1O)O)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)OC)OC","cluster_id":3112,"node_id":2375,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C70H86N4O24/c1-15-69(97-42-24-38(87-11)65(89-13)28(5)93-42)54(63(85)45-31(67(69)95-40-22-36(79)57(73(7)8)26(3)91-40)21-30-44(45)60(82)47-33(76)18-17-32(75)46(47)59(30)81)55-64(86)51-50-52(62(84)49-35(78)20-19-34(77)48(49)61(50)83)56(72-71)53(51)68(96-41-23-37(80)58(74(9)10)27(4)92-41)70(55,16-2)98-43-25-39(88-12)66(90-14)29(6)94-43/h17-21,26-29,36-43,54-55,57-58,65-68,79-85H,15-16,22-25H2,1-14H3/t26-,27-,28-,29-,36-,37-,38-,39-,40+,41+,42-,43-,54-,55-,57-,58-,65-,66-,67+,68+,69-,70-/m0/s1","m_plus_h":"1367.5705","m_plus_na":"1389.5524","origin_reference":{"doi":"10.1021/ja3074984","pmid":22963534,"authors":"Woo, Christina M; Beizer, Nina E; Janso, Jeffrey E; Herzon, Seth B","title":"Isolation of lomaiviticins C-E, transformation of lomaiviticin C to lomaiviticin A, complete structure elucidation of lomaiviticin A, and structure-activity analyses","journal":"Journal of the American Chemical Society","year":2012,"volume":"134","issue":"37","pages":"15285-15288"},"origin_organism":{"id":3711,"type":"Bacterium","genus":"Salinispora","species":"pacifica strain DPJ-0019","taxon":{"id":255,"name":"Salinispora","rank":"genus","taxon_db":"lpsn","external_id":"516542","ncbi_id":168694,"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":246,"name":"Micromonosporales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85008},{"id":247,"name":"Micromonosporaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":28056}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/ja3074984","structure_smiles":"CC[C@@]1([C@H](C(=C2C(=CC3=C2C(=C4C(=O)C=CC(=O)C4=C3O)O)[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)O)[C@H]6C(=O)C7=C([C@H]([C@@]6(CC)O[C@H]8C[C@@H]([C@H]([C@@H](O8)C)OC)OC)O[C@@H]9C[C@@H]([C@H]([C@@H](O9)C)N(C)C)O)C(=[N+]=[N-])C1=C7C(=C2C(=O)C=CC(=O)C2=C1O)O)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)OC)OC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000240"},{"external_db_name":"mibig","external_db_code":"BGC0000241"},{"external_db_name":"npmrd","external_db_code":"NP0011076"}],"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@@]1(O[C@H]2C[C@H](OC)[C@@H](OC)[C@H](C)O2)[C@H](O[C@@H]2C[C@H](O)[C@H]([C@H](C)O2)N(C)C)C2=CC3=C(C2=C(O)[C@@H]1[C@H]1C(=O)C2=C([C@@H](O[C@@H]4C[C@H](O)[C@H]([C@H](C)O4)N(C)C)[C@@]1(CC)O[C@H]1C[C@H](OC)[C@@H](OC)[C@H](C)O1)C(=[N+]=[N-])C1=C2C(O)=C2C(=O)C=CC(=O)C2=C1O)C(O)=C1C(=O)C=CC(=O)C1=C3O","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=UUFARPZDPLRTPW-YHYZUSIDSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000011","name":"Carbohydrates and carbohydrate conjugates","chemont_id":"CHEMONTID:0000011","description":"Monosaccharides, disaccharides, oligosaccharides, polysaccharides, and their derivatives."},"ancestors":["1,2-aminoalcohols","Acetals","Alcohols and polyols","Alkanolamines","Amines","Aminoglycosides","Aminosaccharides","Aryl alkyl ketones","Aryl ketones","Benzenediols","Benzenoids","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Chemical entities","Cyclic ketones","Dialkyl ethers","Diazo compounds","Enols","Ethers","Glycosyl compounds","Hydrocarbon derivatives","Hydroquinones","Indenes and isoindenes","Ketones","Monosaccharides","Naphthalenes","Naphthols and derivatives","Naphthoquinones","O-glycosyl compounds","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organic zwitterions","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","Phenols","Polyols","Propargyl-type 1,3-dipolar organic compounds","Quinones","Secondary alcohols","Tertiary amines","Trialkylamines","Vinylogous acids"],"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 aminoglycosides. 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