{"id":6818,"npaid":"NPA006818","original_name":"Lomaiviticin A","mol_formula":"C68H80N6O24","mol_weight":"1365.4060","exact_mass":"1364.5224","inchikey":"IGTJAVXLXLMFRG-JGBUZTLDSA-N","smiles":"CC[C@@]1([C@H](C(=O)C2=C([C@H]1O[C@H]3CC([C@@H](C(O3)C)N(C)C)O)C(=[N+]=[N-])C4=C2C(=C5C(=O)C=CC(=O)C5=C4O)O)[C@H]6C(=O)C7=C([C@H]([C@@]6(CC)OC8CC(C(C(O8)C)O)OC)OC9CC(C(C(O9)C)N(C)C)O)C(=[N+]=[N-])C1=C7C(=C2C(=O)C=CC(=O)C2=C1O)O)OC1CC(C(C(O1)C)O)OC","cluster_id":3112,"node_id":2375,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C68H80N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-18,23-26,31-38,51-52,55-58,65-66,79-86H,13-14,19-22H2,1-12H3/t23?,24?,25?,26?,31?,32?,33?,34?,35-,36?,37?,38?,51-,52-,55+,56?,57?,58?,65+,66+,67-,68-/m0/s1","m_plus_h":"1365.5297","m_plus_na":"1387.5116","origin_reference":{"doi":"10.1021/ja010129o","pmid":11457405,"authors":"He, H; Ding, W D; Bernan, V S; Richardson, A D; Ireland, C M; Greenstein, M; Ellestad, G A; Carter, G T","title":"Lomaiviticins A and B, potent antitumor antibiotics from Micromonospora lomaivitiensis.","journal":"Journal of the American Chemical Society","year":2001,"volume":"123","issue":"22","pages":"5362-5363"},"origin_organism":{"id":3247,"type":"Bacterium","genus":"Micromonospora","species":"lomaivitiensis","taxon":{"id":253,"name":"Micromonospora","rank":"genus","taxon_db":"lpsn","external_id":"516092","ncbi_id":1873,"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/ja010129o","structure_smiles":"CC[C@@]1([C@H](C(=O)C2=C([C@H]1O[C@H]3CC([C@@H](C(O3)C)N(C)C)O)C(=[N+]=[N-])C4=C2C(=C5C(=O)C=CC(=O)C5=C4O)O)[C@H]6C(=O)C7=C([C@H]([C@@]6(CC)OC8CC(C(C(O8)C)O)OC)OC9CC(C(C(O9)C)N(C)C)O)C(=[N+]=[N-])C1=C7C(=C2C(=O)C=CC(=O)C2=C1O)O)OC1CC(C(C(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":"CCMSLIB00000839294%3%Lomaiviticin&E"},{"external_db_name":"npmrd","external_db_code":"NP0003730"},{"external_db_name":"cmmc","external_db_code":"https://cmmc-kb.gnps2.org/structurepage/?inchikey=IGTJAVXLXLMFRG-JGBUZTLDSA-N"}],"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(OC2CC(OC)C(O)C(C)O2)[C@H](OC2CC(O)C(C(C)O2)N(C)C)C2=C(C3=C(C2=[N+]=[N-])C(O)=C2C(=O)C=CC(=O)C2=C3O)C(=O)[C@@H]1[C@H]1C(=O)C2=C([C@@H](O[C@H]3CC(O)[C@@H](C(C)O3)N(C)C)[C@@]1(CC)OC1CC(OC)C(O)C(C)O1)C(=[N+]=[N-])C1=C2C(O)=C2C(=O)C=CC(=O)C2=C1O","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=IGTJAVXLXLMFRG-JGBUZTLDSA-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","Dialkyl ethers","Diazo compounds","Ethers","Glycosyl compounds","Hydrocarbon derivatives","Hydroquinones","Indenes and isoindenes","Ketones","Monosaccharides","Naphthalenes","Naphthols and derivatives","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","Propargyl-type 1,3-dipolar organic compounds","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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