{"id":5789,"npaid":"NPA005789","original_name":"Cylindrol B1","mol_formula":"C25H32O6","mol_weight":"428.5250","exact_mass":"428.2199","inchikey":"VSWRRSKSGIQJKK-CADSEURFSA-N","smiles":"C[C@@H]1[C@H](CC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C=C(C(=C2O)C=O)C)O)/C)C)OC(=O)C","cluster_id":1134,"node_id":969,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H32O6/c1-14(7-8-19-22(29)11-15(2)20(13-26)24(19)30)9-10-25(6)16(3)21(28)12-23(17(25)4)31-18(5)27/h7,9-11,13,16-17,23,29-30H,8,12H2,1-6H3/b10-9+,14-7+/t16-,17+,23-,25+/m0/s1","m_plus_h":"429.2272","m_plus_na":"451.2091","origin_reference":{"doi":"10.1021/jo961074p","pmid":11667727,"authors":"Singh, Sheo B.; Ball, Richard G.; Bills, Gerald F.; Cascales, Carmen; Gibbs, Jackson B.; Goetz, Michael A.; Hoogsteen, Karst; Jenkins, Rosalind G.; Liesch, Jerrold M.; Lingham, Russell B.; Silverman, Keith C.; Zink, Deborah L.","title":"Chemistry and biology of cylindrols: Novel inhibitors of Ras farnesyl-protein transferase from Cylindrocarpon lucidum","journal":"Journal of Organic Chemistry","year":1996,"volume":"61","issue":"22","pages":"7727-7737"},"origin_organism":{"id":1279,"type":"Fungus","genus":"Cylindrocarpon","species":"lucidum","taxon":{"id":925,"name":"Cylindrocarpon","rank":"genus","taxon_db":"mycobank","external_id":"7866","ncbi_id":13474,"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":899,"name":"Hypocreales","rank":"order","taxon_db":"mycobank","external_id":"90477","ncbi_id":5125},{"id":921,"name":"Nectriaceae","rank":"family","taxon_db":"mycobank","external_id":"81059","ncbi_id":110618}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/jo961074p","structure_smiles":"C[C@@H]1[C@H](CC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C=C(C(=C2O)C=O)C)O)/C)C)OC(=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003900"}],"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@@H]1[C@H](CC(=O)[C@H](C)[C@@]1(C)\\C=C\\C(\\C)=C\\CC1=C(O)C=C(C)C(C=O)=C1O)OC(C)=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=VSWRRSKSGIQJKK-CADSEURFSA-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":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Aldehydes","Aryl-aldehydes","Benzaldehydes","Benzene and substituted derivatives","Benzenediols","Benzenoids","Benzoyl derivatives","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cresols","Cyclic ketones","Hydrocarbon derivatives","Hydroxybenzaldehydes","Ketones","Meta cresols","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Phenols","Resorcinols","Toluenes","Vinylogous 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 hydroxybenzaldehydes. 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