{"id":9019,"npaid":"NPA009019","original_name":"Verrulactone A","mol_formula":"C28H18O12","mol_weight":"546.4400","exact_mass":"546.0798","inchikey":"ZSHZQCWUSDSOFB-UHFFFAOYSA-N","smiles":"COC1=CC(=C2C(=C1)C3=C(C(=C(C=C3OC2=O)O)O)C4=C5C6=CC(=CC(=C6C(=O)OC5=CC(=C4O)O)O)OC)O","cluster_id":11,"node_id":11,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H18O12/c1-37-9-3-11-19(13(29)5-9)27(35)39-17-7-15(31)25(33)23(21(11)17)24-22-12-4-10(38-2)6-14(30)20(12)28(36)40-18(22)8-16(32)26(24)34/h3-8,29-34H,1-2H3","m_plus_h":"547.0871","m_plus_na":"569.0690","origin_reference":{"doi":"10.1016/j.bmcl.2012.02.001","pmid":22377515,"authors":"Kim, Nyung; Sohn, Mi-Jin; Kim, Chang-Jin; Kwon, Ho Jeong; Kim, Won-Gon","title":"Verrulactones A and B, new inhibitors of Staphylococcus aureus enoyl-ACP reductase produced by Penicillium verruculosum F375","journal":"Bioorganic and Medicinal Chemistry Letters","year":2012,"volume":"22","issue":"7","pages":"2503-2506"},"origin_organism":{"id":1287,"type":"Fungus","genus":"Penicillium","species":"verruculosum","taxon":{"id":1239,"name":"Penicillium","rank":"genus","taxon_db":"mycobank","external_id":"9257","ncbi_id":5073,"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":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.bmcl.2012.02.001","structure_smiles":"COC1=CC(=C2C(=C1)C3=C(C(=C(C=C3OC2=O)O)O)C4=C5C6=CC(=CC(=C6C(=O)OC5=CC(=C4O)O)O)OC)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0010671"}],"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=CC(O)=C2C(=O)OC3=CC(O)=C(O)C(C4=C5C(OC(=O)C6=C(O)C=C(OC)C=C56)=CC(O)=C4O)=C3C2=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=ZSHZQCWUSDSOFB-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000325","name":"Biphenols","chemont_id":"CHEMONTID:0000325","description":"Organic compounds containing two phenol groups linked together by a C-C bond."},"ancestors":["1-benzopyrans","1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","2-benzopyrans","6,7-dihydroxycoumarins","Alcohols and polyols","Alkyl aryl ethers","Anisoles","Benzene and substituted derivatives","Benzenoids","Benzopyrans","Biphenols","Chemical entities","Coumarins and derivatives","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroxycoumarins","Isocoumarins and derivatives","Lactones","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Phenol ethers","Phenols","Phenylpropanoids and polyketides","Polyols","Pyranones and derivatives","Pyrans","Vinylogous acids"],"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 biphenols. 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