{"id":11770,"npaid":"NPA011770","original_name":"Enacyloxin IIa","mol_formula":"C33H45Cl2NO11","mol_weight":"702.6250","exact_mass":"701.2370","inchikey":"IWBADCVFZDCUTN-DTRFTOPNSA-N","smiles":"CC/C=C/C(C(C(CC(=O)C(C(C(C)/C(=C/C=C/C=C(\\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N","cluster_id":4508,"node_id":3299,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12-/t20?,21-,23-,24?,26?,27+,29?,30?,31?/m0/s1","m_plus_h":"702.2443","m_plus_na":"724.2262","origin_reference":{"doi":"10.7164/antibiotics.45.470","pmid":1592680,"authors":"Watanabe, T; Sugiyama, T; Takahashi, M; Shima, J; Yamashita, K; Izaki, K; Furihata, K; Seto, H","title":"New polyenic antibiotics active against gram-positive and gram-negative bacteria. IV. Structural elucidation of enacyloxin IIa","journal":"Journal of Antibiotics","year":1992,"volume":"45","issue":"4","pages":"470-475"},"origin_organism":{"id":4352,"type":"Bacterium","genus":"Frateuria","species":"sp. W-315","taxon":{"id":148,"name":"Frateuria","rank":"genus","taxon_db":"lpsn","external_id":"515655","ncbi_id":70411,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":79,"name":"Gammaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":1236},{"id":146,"name":"Lysobacterales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":147,"name":"Rhodanobacteraceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1775411}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.45.470","structure_smiles":"CC/C=C/C(C(C(CC(=O)C(C(C(C)/C(=C/C=C/C=C(\\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001094"},{"external_db_name":"npmrd","external_db_code":"NP0005885"}],"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(CC)=C(\\[H])C([H])(OC(O)=N)C([H])(Cl)C([H])(O)CC(=O)C([H])(O)C([H])(O)C([H])(C)C(\\Cl)=C(/[H])\\C(\\[H])=C(/[H])\\C(\\[H])=C(/C)\\C(\\[H])=C(/[H])\\C(\\[H])=C(/[H])C(=O)O[C@]1([H])C[C@]([H])(CC[C@]1([H])O)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=IWBADCVFZDCUTN-DTRFTOPNSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000129","name":"Alcohols and polyols","chemont_id":"CHEMONTID:0000129","description":"Organic compounds in which at least one hydroxyl functional group (-OH) is bound to a carbon atom, usually connected to other carbon or hydrogen atoms."},"ancestors":["Acyloins","Alcohols and polyols","Alkyl chlorides","Alkyl halides","Alpha,beta-unsaturated carboxylic esters","Alpha-hydroxy ketones","Beta-hydroxy ketones","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboximidic acids and derivatives","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Chloroalkenes","Chlorohydrins","Cyclic alcohols and derivatives","Cyclohexanols","Dicarboxylic acids and derivatives","Enoate esters","Fatty Acyls","Fatty acid esters","Haloalkenes","Halohydrins","Hydrocarbon derivatives","Imines","Ketones","Lipids and lipid-like molecules","Monosaccharides","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Polyols","Secondary alcohols","Vinyl chlorides","Vinyl halides"],"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 cyclohexanols. 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