{"id":17291,"npaid":"NPA017291","original_name":"Ganefromycin ε","mol_formula":"C36H53NO9","mol_weight":"643.8180","exact_mass":"643.3720","inchikey":"RNCHOJALTYLGCU-JWUJFNNNSA-N","smiles":"C/C=C\\C=C\\C1C(C(CC(O1)([C@H](C)C(=O)NC/C=C/C=C(\\C)/C(C(C)C2CC(C(O2)/C=C/C=C/C=C\\C(=O)O)O)OC)O)O)(C)C","cluster_id":2605,"node_id":2027,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C36H53NO9/c1-8-9-12-19-31-35(5,6)30(39)23-36(43,46-31)26(4)34(42)37-21-16-15-17-24(2)33(44-7)25(3)29-22-27(38)28(45-29)18-13-10-11-14-20-32(40)41/h8-20,25-31,33,38-39,43H,21-23H2,1-7H3,(H,37,42)(H,40,41)/b9-8-,11-10+,16-15+,18-13+,19-12+,20-14-,24-17+/t25?,26-,27?,28?,29?,30?,31?,33?,36?/m1/s1","m_plus_h":"644.3793","m_plus_na":"666.3612","origin_reference":{"doi":"10.7164/antibiotics.48.1312","pmid":25754859,"authors":"CARTER, GUY T.; TISCHLER, MARK; WEST, ROBERT R.; BAILEY, ARTHUR E.","title":"Base-catalyzed Isomerism in Elfamycin Antibiotics. Structures of Ganefromycins .EPSILON. and .EPSILON.1","journal":"Journal of Antibiotics","year":1995,"volume":"48","issue":"11","pages":"1312-1319"},"origin_organism":{"id":39,"type":"Fungus","genus":"Unknown-fungus","species":"sp.","taxon":{"id":1724,"name":"Unknown-fungus","rank":"genus","taxon_db":"mycobank","external_id":null,"ncbi_id":null,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.48.1312","structure_smiles":"C/C=C\\C=C\\C1C(C(CC(O1)([C@H](C)C(=O)NC/C=C/C=C(\\C)/C(C(C)C2CC(C(O2)/C=C/C=C/C=C\\C(=O)O)O)OC)O)O)(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013875"}],"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])C1([H])OC(O)(CC([H])(O)C1(C)C)[C@]([H])(C)C(O)=NC\\C([H])=C(/[H])\\C(\\[H])=C(/C)C([H])(OC)C([H])(C)C1([H])CC([H])(O)C([H])(O1)C(\\[H])=C(/[H])\\C(\\[H])=C(/[H])\\C(\\[H])=C(\\[H])C(O)=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=RNCHOJALTYLGCU-JWUJFNNNSA-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":["Alcohols and polyols","Amino fatty acids","Branched fatty acids","C-glycosyl compounds","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","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","Monocarboxylic acids and derivatives","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 c-glycosyl compounds. 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