{"id":17674,"npaid":"NPA017674","original_name":"Waol B","mol_formula":"C14H22O5","mol_weight":"270.3250","exact_mass":"270.1467","inchikey":"KQSDRYHFEPVJCF-ZOQJPFMASA-N","smiles":"C/C=C/[C@H](O)[C@@H]1O[C@H](/C=C/C)[C@H](O)CC1C(=O)OC","cluster_id":5901,"node_id":1141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C14H22O5/c1-4-6-10(15)13-9(14(17)18-3)8-11(16)12(19-13)7-5-2/h4-7,9-13,15-16H,8H2,1-3H3/b6-4+,7-5+/t9?,10-,11+,12+,13+/m0/s1","m_plus_h":"271.1540","m_plus_na":"293.1359","origin_reference":{"doi":"10.7164/antibiotics.53.1296","pmid":11213291,"authors":"NOZAWA, OSAMU; OKAZAKI, TADAYASU; MORIMOTO, SHIGEO; CHEN, ZENG-XIANG; HE, BI-MEI; MIZOUE, KAZUTOSHI; 2000, ; B, 'Waol; Activity, a New Trihydrofuran Derivative with Cytocidal; lutea.', isolated from Myceliophthora; Antibiotics</i>, <i>The Journal of; 53, vol.; 11, no.; 1296-1300, pp.","title":"Waol B, a New Trihydrofuran Derivative with Cytocidal Activity, isolated from Myceliophthora lutea","journal":"Journal of Antibiotics","year":1995,"volume":"53","issue":"11","pages":"1296-1300"},"origin_organism":{"id":5303,"type":"Fungus","genus":"Myceliophthora","species":"lutea","taxon":{"id":1062,"name":"Myceliophthora","rank":"genus","taxon_db":"mycobank","external_id":"9013","ncbi_id":49009,"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":1050,"name":"Sordariales","rank":"order","taxon_db":"mycobank","external_id":"90499","ncbi_id":5139},{"id":1056,"name":"Chaetomiaceae","rank":"family","taxon_db":"mycobank","external_id":"80582","ncbi_id":35718}]}},"syntheses":[],"reassignments":[{"reference_doi":"10.1021/jo0358628","structure_smiles":"C/C=C/[C@H](O)[C@@H]1O[C@H](/C=C/C)[C@H](O)CC1C(=O)OC"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.7164/antibiotics.53.1296","structure_smiles":"C/C=C/[C@H]1[C@H](/C(=C\\C(C(=O)OC)O)/[C@H](O1)/C=C/C)O","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/jo0358628","structure_smiles":"C/C=C/[C@H](O)[C@@H]1O[C@H](/C=C/C)[C@H](O)CC1C(=O)OC","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003609"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003909","name":"Fatty Acyls","chemont_id":"CHEMONTID:0003909","description":"Organic molecules synthesized by chain elongation of an acetyl-CoA primer with malonyl-CoA (or methylmalonyl-CoA) groups that might contain a cyclic functionality and/or are substituted with heteroatoms."},"smiles":"COC(=O)C(O)\\C=C1/[C@H](O)[C@@H](O[C@@H]1\\C=C\\C)\\C=C\\C","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=DMRIUUMAZLWLQW-XVWRFVRXSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000324","name":"Fatty acid esters","chemont_id":"CHEMONTID:0000324","description":"Carboxylic ester derivatives of a fatty acid."},"ancestors":["Alcohols and polyols","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Ethers","Fatty Acyls","Fatty acid esters","Hydrocarbon derivatives","Lipids and lipid-like molecules","Methyl esters","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxolanes","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as fatty acid esters. 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