{"id":14292,"npaid":"NPA014292","original_name":"Microsphaerol","mol_formula":"C23H21Cl3O5","mol_weight":"483.7750","exact_mass":"482.0455","inchikey":"NEHFAEVGPMAOKI-UHFFFAOYSA-N","smiles":"CC1=C(C(=CC=C1)Cl)OC2=C(C(=C(C(=C2C)C)OC3=C(C(=C(C(=C3)O)O)OC)Cl)Cl)C","cluster_id":5116,"node_id":3663,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C23H21Cl3O5/c1-10-7-6-8-14(24)20(10)31-21-11(2)12(3)22(17(25)13(21)4)30-16-9-15(27)19(28)23(29-5)18(16)26/h6-9,27-28H,1-5H3","m_plus_h":"483.0528","m_plus_na":"505.0347","origin_reference":{"doi":"10.1002/cbdv.201400098","pmid":25676510,"authors":"Hussain, Hidayat; Root, Natalia; Jabeen, Farah; Al-Harrasi, Ahmed; Ahmad, Manzoor; Mabood, Fazal; Hassan, Zahid; Shah, Afzal; Green, Ivan R.; Schulz, Barbara; Krohn, Karsten","title":"Microsphaerol and Seimatorone: Two New Compounds Isolated from the Endophytic Fungi, Microsphaeropsis sp. and Seimatosporium sp","journal":"Chemistry and Biodiversity","year":2015,"volume":"12","issue":"2","pages":"289-294"},"origin_organism":{"id":2801,"type":"Fungus","genus":"Microsphaeropsis","species":"sp.","taxon":{"id":712,"name":"Microsphaeropsis","rank":"genus","taxon_db":"mycobank","external_id":"8936","ncbi_id":107453,"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":618,"name":"Dothideomycetes","rank":"class","taxon_db":"mycobank","external_id":"501481","ncbi_id":147541},{"id":645,"name":"Pleosporales","rank":"order","taxon_db":"mycobank","external_id":"90563","ncbi_id":92860},{"id":711,"name":"Montagnulaceae","rank":"family","taxon_db":"mycobank","external_id":"82111","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/cbdv.201400098","structure_smiles":"CC1=C(C(=CC=C1)Cl)OC2=C(C(=C(C(=C2C)C)OC3=C(C(=C(C(=C3)O)O)OC)Cl)Cl)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013813"}],"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(O)C(O)=CC(OC2=C(C)C(C)=C(OC3=C(C)C=CC=C3Cl)C(C)=C2Cl)=C1Cl","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=NEHFAEVGPMAOKI-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004155","name":"Diphenylethers","chemont_id":"CHEMONTID:0004155","description":"Aromatic compounds containing two benzene rings linked to each other through an ether group."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","4-chlorocatechols","Alkyl aryl ethers","Anisoles","Aryl chlorides","Aryl halides","Benzene and substituted derivatives","Benzenediols","Benzenoids","Catechols","Chemical entities","Chlorobenzenes","Chlorocatechols","Chlorophenols","Diarylethers","Diphenylethers","Ethers","Halobenzenes","Halophenols","Hydrocarbon derivatives","M-chlorophenols","Methoxybenzenes","Methoxyphenols","Organic compounds","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organooxygen compounds","P-chlorophenols","Phenol ethers","Phenols","Phenoxy compounds","Toluenes"],"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 diphenylethers. 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