{"id":24620,"npaid":"NPA024620","original_name":"2'3'-dihydrosorbicillin","mol_formula":"C14H18O3","mol_weight":"234.2950","exact_mass":"234.1256","inchikey":"QQBOFNUXGPKLIK-SNAWJCMRSA-N","smiles":"C/C=C/CCC(=O)C1=CC(=C(C(=C1O)C)O)C","cluster_id":2026,"node_id":1365,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C14H18O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-5,8,16-17H,6-7H2,1-3H3/b5-4+","m_plus_h":"235.1329","m_plus_na":"257.1148","origin_reference":{"doi":"10.1016/S0040-4020(01)88647-6","pmid":null,"authors":"Trifonov, LS; Bierj, JH; Prewo, R; Dreidig; AS","title":"Isolation and structure elucidation of three metabolites from verticillium intertextum: sorbicillin, dihydrosorbicillin and bisvertinoquinol","journal":"Tetrahedron","year":1983,"volume":"39","issue":"24","pages":"4243-4256"},"origin_organism":{"id":8714,"type":"Fungus","genus":"Verticillium","species":"inlertexlum","taxon":{"id":1110,"name":"Verticillium","rank":"genus","taxon_db":"mycobank","external_id":"10400","ncbi_id":1036719,"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":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":1104,"name":"Glomerellales","rank":"order","taxon_db":"mycobank","external_id":"515429","ncbi_id":1028384},{"id":1108,"name":"Plectosphaerellaceae","rank":"family","taxon_db":"mycobank","external_id":"510694","ncbi_id":1033978}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/S0040-4020(01)88647-6","structure_smiles":"C/C=C/CCC(=O)C1=CC(=C(C(=C1O)C)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0196248"}],"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\\CCC(=O)C1=CC(C)=C(O)C(C)=C1O","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=QQBOFNUXGPKLIK-SNAWJCMRSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},"ancestors":["Alkyl-phenylketones","Aryl alkyl ketones","Aryl ketones","Benzene and substituted derivatives","Benzenediols","Benzenoids","Benzoyl derivatives","Butyrophenones","Carbonyl compounds","Chemical entities","Cresols","Hydrocarbon derivatives","Ketones","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Ortho cresols","Para cresols","Phenols","Phenylketones","Resorcinols","Vinylogous acids","Xylenes","Xylenols","m-Xylenes"],"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 alkyl-phenylketones. 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