{"id":10291,"npaid":"NPA010291","original_name":"2,3,4,5-tetramethoxybenzoyl chloride","mol_formula":"C11H13ClO5","mol_weight":"260.6730","exact_mass":"260.0452","inchikey":"IVMDBXGELGZZFZ-UHFFFAOYSA-N","smiles":"COC1=C(C(=C(C(=C1)C(=O)Cl)OC)OC)OC","cluster_id":null,"node_id":null,"has_exclusions":true,"synonyms":[],"inchi":"InChI=1S/C11H13ClO5/c1-14-7-5-6(11(12)13)8(15-2)10(17-4)9(7)16-3/h5H,1-4H3","m_plus_h":"261.0525","m_plus_na":"283.0344","origin_reference":{"doi":"10.1021/np070045e","pmid":17559265,"authors":"Chen, Jih-Jung; Lin, Wen-Jiou; Liao, Chang-Hui; Shieh, Po-Chuen","title":"Anti-inflammatory benzenoids from Antrodia camphorata","journal":"Journal of Natural Products","year":2007,"volume":"70","issue":"6","pages":"989-992"},"origin_organism":{"id":371,"type":"Fungus","genus":"Antrodia","species":"camphorata","taxon":{"id":1519,"name":"Antrodia","rank":"genus","taxon_db":"mycobank","external_id":"17083","ncbi_id":40415,"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":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1511,"name":"Polyporales","rank":"order","taxon_db":"mycobank","external_id":"90565","ncbi_id":5303},{"id":1518,"name":"Fomitopsidaceae","rank":"family","taxon_db":"mycobank","external_id":"81772","ncbi_id":1769247}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np070045e","structure_smiles":"COC1=C(C(=C(C(=C1)C(=O)Cl)OC)OC)OC","is_reassignment":false,"version":1}],"exclusions":[{"exclusion_type":"Structure flagged during revision as not known","reference_doi":"10.1021/np200095q","revised_compound_id":null}],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0007107"}],"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":"COC1=C(OC)C(OC)=C(OC)C(=C1)C(Cl)=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=IVMDBXGELGZZFZ-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000176","name":"Benzoic acids and derivatives","chemont_id":"CHEMONTID:0000176","description":"Organic compounds containing a carboxylic acid substituent attached to a benzene ring."},"ancestors":["Acyl chlorides","Acyl halides","Alkyl aryl ethers","Anisoles","Benzene and substituted derivatives","Benzenoids","Benzoic acids and derivatives","Benzoyl derivatives","Chemical entities","Ethers","Hydrocarbon derivatives","Methoxybenzenes","Organic compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organooxygen compounds","Phenol ethers","Phenoxy compounds"],"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 benzoic acids and derivatives. 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