{"id":17508,"npaid":"NPA017508","original_name":"1-O-acetylterricolyne","mol_formula":"C13H14O4","mol_weight":"234.2510","exact_mass":"234.0892","inchikey":"HPYUVJOUOVWPNC-LBPRGKRZSA-N","smiles":"CC(=O)OCC1=CC=C(C=C1)OC[C@H](C#C)O","cluster_id":4864,"node_id":3504,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C13H14O4/c1-3-12(15)9-17-13-6-4-11(5-7-13)8-16-10(2)14/h1,4-7,12,15H,8-9H2,2H3/t12-/m0/s1","m_plus_h":"235.0965","m_plus_na":"257.0784","origin_reference":{"doi":"10.1021/np900512k","pmid":19795843,"authors":"Zhang, Fan; Liu, Shuchun; Lu, Xinhua; Guo, Liangdong; Zhang, Hua; Che, Yongsheng","title":"Allenyl and alkynyl phenyl ethers from the endolichenic fungus Neurospora terricola","journal":"Journal of Natural Products","year":2009,"volume":"72","issue":"10","pages":"1782-1785"},"origin_organism":{"id":134,"type":"Fungus","genus":"Neurospora","species":"terricola","taxon":{"id":1070,"name":"Neurospora","rank":"genus","taxon_db":"mycobank","external_id":"3502","ncbi_id":5140,"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":1067,"name":"Sordariaceae","rank":"family","taxon_db":"mycobank","external_id":"81384","ncbi_id":5148}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np900512k","structure_smiles":"CC(=O)OCC1=CC=C(C=C1)OC[C@H](C#C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0008777"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002279","name":"Benzene and substituted derivatives","chemont_id":"CHEMONTID:0002279","description":"Aromatic compounds containing one monocyclic ring system consisting of benzene."},"smiles":"CC(=O)OCC1=CC=C(OC[C@@H](O)C#C)C=C1","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=HPYUVJOUOVWPNC-LBPRGKRZSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001097","name":"Benzyloxycarbonyls","chemont_id":"CHEMONTID:0001097","description":"Organic compounds containing a carbonyl group substituted with a benzyloxyl group."},"ancestors":["Acetylides","Alcohols and polyols","Alkyl aryl ethers","Benzene and substituted derivatives","Benzenoids","Benzyloxycarbonyls","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Ethers","Hydrocarbon derivatives","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Phenol ethers","Phenoxy compounds","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},"description":"This compound belongs to the class of organic compounds known as benzyloxycarbonyls. 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