{"id":8474,"npaid":"NPA008474","original_name":"F13459","mol_formula":"C27H28O11","mol_weight":"528.5100","exact_mass":"528.1632","inchikey":"HFLIGULWCMOSDN-LFYBBSHMSA-N","smiles":"CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\\C)/CCC(=O)OC3C4=CC(=CC(=C4C(=O)OC3(C)O)O)O)OC","cluster_id":3625,"node_id":2726,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C27H28O11/c1-12(5-7-15-22(31)21-17(11-36-25(21)32)13(2)23(15)35-4)6-8-19(30)37-24-16-9-14(28)10-18(29)20(16)26(33)38-27(24,3)34/h5,9-10,24,28-29,31,34H,6-8,11H2,1-4H3/b12-5+","m_plus_h":"529.1705","m_plus_na":"551.1524","origin_reference":{"doi":"10.7164/antibiotics.54.489","pmid":11513037,"authors":"Muroi; Sano; Okada; Koshino; Oku; Takatsuki","title":"F13459, a new derivative of mycophenolic acid. I. Taxonomy, isolation, and biological properties","journal":"Journal of Antibiotics","year":2001,"volume":"54","issue":"6","pages":"489-493"},"origin_organism":{"id":113,"type":"Fungus","genus":"Penicillium","species":"sp.","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":"10.7164/antibiotics.54.489","structure_smiles":"CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\\C)/CCC(=O)OC3C4=CC(=CC(=C4C(=O)OC3(C)O)O)O)OC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003813"}],"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(C)C2=C(C(=O)OC2)C(O)=C1C\\C=C(/C)CCC(=O)OC1C2=CC(O)=CC(O)=C2C(=O)OC1(C)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=HFLIGULWCMOSDN-LFYBBSHMSA-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":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","2-benzopyrans","Alcohols and polyols","Alkyl aryl ethers","Anisoles","Benzene and substituted derivatives","Benzenoids","Benzoic acids and derivatives","Benzopyrans","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Ethers","Fatty Acyls","Fatty acid esters","Hemiacetals","Hydrocarbon derivatives","Hydroxybenzoic acid derivatives","Isobenzofuranones","Isocoumarans","Lactones","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Phenol ethers","Phenols","Phthalides","Polyols","Tricarboxylic acids and derivatives","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 hydroxybenzoic acid derivatives. 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