{"id":20334,"npaid":"NPA020334","original_name":"Lomaiviticin C","mol_formula":"C68H82N4O24","mol_weight":"1339.4080","exact_mass":"1338.5319","inchikey":"NZZSDJHUISSTSC-QIXKQXDESA-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)O)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)O)OC","cluster_id":3112,"node_id":2375,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C68H82N4O24/c1-13-67(95-40-22-36(87-11)57(79)26(5)91-40)52(63(85)43-29(65(67)93-38-20-34(77)55(71(7)8)24(3)89-38)19-28-42(43)60(82)45-31(74)16-15-30(73)44(45)59(28)81)53-64(86)49-48-50(62(84)47-33(76)18-17-32(75)46(47)61(48)83)54(70-69)51(49)66(94-39-21-35(78)56(72(9)10)25(4)90-39)68(53,14-2)96-41-23-37(88-12)58(80)27(6)92-41/h15-19,24-27,34-41,52-53,55-58,65-66,77-85H,13-14,20-23H2,1-12H3/t24-,25-,26+,27+,34-,35-,36+,37+,38+,39+,40+,41+,52-,53-,55-,56-,57+,58+,65+,66+,67-,68-/m0/s1","m_plus_h":"1339.5392","m_plus_na":"1361.5211","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":1679,"type":"Bacterium","genus":"Salinispora","species":"pacifica","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)O)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)O)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":"gnps","external_db_code":"CCMSLIB00000001649%Lomaiviticin C%1"},{"external_db_name":"npmrd","external_db_code":"NP0011074"}],"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](O)[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](O)[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=NZZSDJHUISSTSC-QIXKQXDESA-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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