{"id":20657,"npaid":"NPA020657","original_name":"MM 55266","mol_formula":"C86H89Cl5N8O35","mol_weight":"1971.9440","exact_mass":"1968.3873","inchikey":"KAEGQLAGEKEXIX-ONLGDKFQSA-N","smiles":"CC(C)CCCCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H](O[C@H]1O[C@H]2[C@H]3C(=O)N[C@@H](C4=CC(=CC(=C4C5=CC(=CC(=C5O[C@@H]6[C@@H]([C@@H]([C@H]([C@H](O6)CO)O)O)O)Cl)[C@H](C(=O)N3)NC(=O)[C@@H]7C8=CC(=C(C(=C8)OC9=C(C=C2C=C9Cl)Cl)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)OC1=C(C=C(C=C1)[C@H]([C@H]1C(=O)N[C@@H](C2=CC(=CC(=C2Cl)O)OC2=C(C=CC(=C2)[C@@H](C(=O)N1)NC)O)C(=O)N7)O)Cl)O)O)C(=O)O)C(=O)O)O)O","cluster_id":1422,"node_id":1182,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C86H89Cl5N8O35/c1-27(2)7-5-4-6-8-51(106)93-60-65(110)68(113)75(83(124)125)134-84(60)131-71-32-16-40(89)73(41(90)17-32)128-48-20-31-19-47(74(48)133-86-70(115)67(112)64(109)50(26-101)130-86)127-45-12-10-29(14-38(45)87)62(107)59-80(120)96-57(37-23-34(24-44(105)53(37)91)126-46-18-28(9-11-42(46)103)54(92-3)76(116)98-59)79(119)95-56(31)77(117)94-55-30-13-36(72(39(88)15-30)132-85-69(114)66(111)63(108)49(25-100)129-85)52-35(21-33(102)22-43(52)104)58(82(122)123)97-81(121)61(71)99-78(55)118/h9-24,27,49-50,54-71,75,84-86,92,100-105,107-115H,4-8,25-26H2,1-3H3,(H,93,106)(H,94,117)(H,95,119)(H,96,120)(H,97,121)(H,98,116)(H,99,118)(H,122,123)(H,124,125)/t49-,50+,54+,55-,56+,57+,58+,59+,60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,75-,84-,85-,86-/m1/s1","m_plus_h":"1969.3946","m_plus_na":"1991.3765","origin_reference":{"doi":"10.7164/antibiotics.44.807","pmid":1917694,"authors":"Box SJ; Coates NJ; Davis CJ; Gilpin ML; Houge-Frydrych CS; Milner PH","title":"MM 55266 and MM 55268, glycopeptide antibiotics produced by a new strain of Amycolatopsis. Isolation, purification and structure determination.","journal":"Journal of Antibiotics","year":1991,"volume":"44","issue":"8","pages":"807-813"},"origin_organism":{"id":5909,"type":"Bacterium","genus":"Amycolatopsis","species":"sp. NCIB 40089","taxon":{"id":232,"name":"Amycolatopsis","rank":"genus","taxon_db":"lpsn","external_id":"515111","ncbi_id":1813,"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":224,"name":"Pseudonocardiales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85010},{"id":225,"name":"Pseudonocardiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2070}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.44.807","structure_smiles":"CC(C)CCCCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H](O[C@H]1O[C@H]2[C@H]3C(=O)N[C@@H](C4=CC(=CC(=C4C5=CC(=CC(=C5O[C@@H]6[C@@H]([C@@H]([C@H]([C@H](O6)CO)O)O)O)Cl)[C@H](C(=O)N3)NC(=O)[C@@H]7C8=CC(=C(C(=C8)OC9=C(C=C2C=C9Cl)Cl)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)OC1=C(C=C(C=C1)[C@H]([C@H]1C(=O)N[C@@H](C2=CC(=CC(=C2Cl)O)OC2=C(C=CC(=C2)[C@@H](C(=O)N1)NC)O)C(=O)N7)O)Cl)O)O)C(=O)O)C(=O)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0008249"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"[H][C@@]1(CO)O[C@]([H])(OC2=C3OC4=C(Cl)C=C(C=C4)[C@@]([H])(O)[C@]4([H])N=C(O)[C@@]([H])(NC)C5=CC(OC6=CC(=C(Cl)C(O)=C6)[C@]([H])(N=C4O)C(O)=N[C@@]4([H])C(C=C2OC2=C(Cl)C=C(C=C2Cl)[C@@]([H])(O[C@]2([H])O[C@@]([H])(C(O)=O)[C@]([H])(O)[C@@]([H])(O)[C@@]2([H])N=C(O)CCCCCC(C)C)[C@]2([H])N=C(O)[C@]([H])(N=C4O)C4=CC(=C(O[C@@]6([H])O[C@]([H])(CO)[C@]([H])(O)[C@@]([H])(O)[C@@]6([H])O)C(Cl)=C4)C4=C(C=C(O)C=C4O)[C@]([H])(N=C2O)C(O)=O)=C3)=C(O)C=C5)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O","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=KAEGQLAGEKEXIX-ONLGDKFQSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Acetals","Alcohols and polyols","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Aminosaccharides","Aralkylamines","Aryl chlorides","Aryl halides","Azacyclic compounds","Benzenoids","Beta hydroxy acids and derivatives","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Cyclic peptides","Dialkylamines","Diarylethers","Dicarboxylic acids and derivatives","Ethers","Glycosyl compounds","Hydrocarbon derivatives","Hydroxy acids and derivatives","Monosaccharides","N-acyl-alpha-hexosamines","O-glycosyl compounds","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","Peptides","Phenolic glycosides","Phenols","Polyols","Primary alcohols","Propargyl-type 1,3-dipolar organic compounds","Pyrans","Secondary alcohols","Secondary amines"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as cyclic peptides. 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