{"id":20770,"npaid":"NPA020770","original_name":"Phenelfamycin E","mol_formula":"C65H95NO21","mol_weight":"1226.4610","exact_mass":"1225.6397","inchikey":"UDVVGDCMWCVRCO-DPXDKDKUSA-N","smiles":"C/C=C\\C=C\\[C@H]1C([C@H]([C@H]([C@](O1)([C@H](CO[C@H]2C[C@H]([C@H]([C@H](O2)C)O[C@@H]3C[C@H]([C@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)OC)OC)OC)C(=O)NC/C=C/C=C(\\C)/[C@H]([C@H](C)[C@H]5C[C@@H]([C@@H](O5)/C=C/C=C/C=C/C(=O)O)O)OC)O)OC(=O)CC6=CC=CC=C6)O)(C)C","cluster_id":2605,"node_id":2027,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)61(72)62(84-53(70)32-43-26-19-17-20-27-43)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13-,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+/t39-,40+,41-,42+,44-,45+,46+,47-,48+,49-,50-,51+,54-,55+,56-,57-,58-,59+,60+,61+,62-,65-/m1/s1","m_plus_h":"1226.6470","m_plus_na":"1248.6289","origin_reference":{"doi":"10.7164/antibiotics.41.1300","pmid":3192490,"authors":"Hochlowski JE; Buytendorp MH; Whittern DN; Buko AM; Chen RH; McAlpine JB","title":"Phenelfamycins, a novel complex of elfamycin-type antibiotics. II. Isolation and structure determination","journal":"Journal of Antibiotics","year":1988,"volume":"41","issue":"10","pages":"1300-1315"},"origin_organism":{"id":6014,"type":"Bacterium","genus":"Streptomyces","species":"violaceoniger AB 999F-80","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"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":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.41.1300","structure_smiles":"C/C=C\\C=C\\[C@H]1C([C@H]([C@H]([C@](O1)([C@H](CO[C@H]2C[C@H]([C@H]([C@H](O2)C)O[C@@H]3C[C@H]([C@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)OC)OC)OC)C(=O)NC/C=C/C=C(\\C)/[C@H]([C@H](C)[C@H]5C[C@@H]([C@@H](O5)/C=C/C=C/C=C/C(=O)O)O)OC)O)OC(=O)CC6=CC=CC=C6)O)(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0020966"}],"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":"[H]\\C(C)=C(/[H])\\C(\\[H])=C(/[H])[C@]1([H])O[C@](O)([C@]([H])(CO[C@@]2([H])C[C@@]([H])(OC)[C@@]([H])(O[C@]3([H])C[C@@]([H])(OC)[C@@]([H])(O[C@@]4([H])C[C@]([H])(OC)[C@]([H])(O)[C@]([H])(C)O4)[C@]([H])(C)O3)[C@@]([H])(C)O2)C(O)=NC\\C([H])=C(/[H])\\C(\\[H])=C(/C)[C@@]([H])(OC)[C@]([H])(C)[C@@]2([H])C[C@]([H])(O)[C@@]([H])(O2)C(\\[H])=C(/[H])\\C(\\[H])=C(/[H])\\C(\\[H])=C(/[H])C(O)=O)[C@]([H])(OC(=O)CC2=CC=CC=C2)[C@]([H])(O)C1(C)C","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=UDVVGDCMWCVRCO-DPXDKDKUSA-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":["Acetals","Alcohols and polyols","Amino fatty acids","Benzene and substituted derivatives","Benzenoids","Branched fatty acids","C-glycosyl compounds","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Dicarboxylic acids and derivatives","Ethers","Fatty Acyls","Fatty acids and conjugates","Glycosyl compounds","Hemiacetals","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydroxy fatty acids","Lipids and lipid-like molecules","Medium-chain fatty acids","O-glycosyl compounds","Oligosaccharides","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","Oxacyclic compounds","Oxanes","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols","Tetrahydrofurans","Unsaturated fatty 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 oligosaccharides. 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