{"id":2564,"npaid":"NPA002564","original_name":"2-(1-Chloro-1-propenyl)-4,5-dihydroxycyclopent-2-enone","mol_formula":"C8H9ClO3","mol_weight":"188.6100","exact_mass":"188.0240","inchikey":"VLJLBZXEKHNAQP-BCOZSSAFSA-N","smiles":"C/C=C(/C1=C[C@H]([C@@H](C1=O)O)O)\\Cl","cluster_id":1516,"node_id":1245,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C8H9ClO3/c1-2-5(9)4-3-6(10)8(12)7(4)11/h2-3,6,8,10,12H,1H3/b5-2-/t6-,8+/m1/s1","m_plus_h":"189.0313","m_plus_na":"211.0132","origin_reference":{"doi":"10.7164/antibiotics.54.679","pmid":11592504,"authors":"WEIDLER, MARCUS; RETHER, JAN; ANKE, TIMM; ERKEL, GERHARD; STERNER, OLOV","title":"New Bioactive Cyclopentenone Derivatives as Inhibitors of the IL-6 Dependent Signal Transduction","journal":"Journal of Antibiotics","year":2001,"volume":"54","issue":"8","pages":"679-681"},"origin_organism":{"id":850,"type":"Fungus","genus":"Ascomyces","species":"sp. strain A23-98","taxon":{"id":1303,"name":"Ascomyces","rank":"genus","taxon_db":"mycobank","external_id":"364","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},{"id":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":1300,"name":"Taphrinomycetes","rank":"class","taxon_db":"mycobank","external_id":"90366","ncbi_id":147555},{"id":1301,"name":"Taphrinales","rank":"order","taxon_db":"mycobank","external_id":"90501","ncbi_id":5008},{"id":1302,"name":"Taphrinaceae","rank":"family","taxon_db":"mycobank","external_id":"81450","ncbi_id":5009}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.54.679","structure_smiles":"C/C=C(/C1=C[C@H]([C@@H](C1=O)O)O)\\Cl","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003885"}],"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":"C\\C=C(/Cl)C1=C[C@@H](O)[C@H](O)C1=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=VLJLBZXEKHNAQP-BCOZSSAFSA-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":["1,2-diols","Alcohols and polyols","Carbonyl compounds","Chemical entities","Chloroalkenes","Cyclic ketones","Haloalkenes","Hydrocarbon derivatives","Ketones","Organic compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organooxygen 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 1,2-diols. 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