{"id":4271,"npaid":"NPA004271","original_name":"Roseopurpurin A","mol_formula":"C18H22O8","mol_weight":"366.3660","exact_mass":"366.1315","inchikey":"OFAIPEZAGBTTCZ-RYRKJORJSA-N","smiles":"CC1=CC(=C(C(=C1C(=O)O)O[C@H]2C(=O)C(=C([C@H]([C@]2(C)OC)O)O)C)C)O","cluster_id":1003,"node_id":865,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H22O8/c1-7-6-10(19)8(2)14(11(7)17(23)24)26-16-13(21)9(3)12(20)15(22)18(16,4)25-5/h6,15-16,19-20,22H,1-5H3,(H,23,24)/t15-,16+,18+/m1/s1","m_plus_h":"367.1388","m_plus_na":"389.1207","origin_reference":{"doi":"10.1021/acs.orglett.6b02099","pmid":27537356,"authors":"Shang, Zhuo; Khalil, Zeinab; Li, Li; Salim, Angela A.; Quezada, Michelle; Kalansuriya, Pabasara; Capon, Robert J.","title":"Roseopurpurins: Chemical Diversity Enhanced by Convergent Biosynthesis and Forward and Reverse Michael Additions","journal":"Organic Letters","year":2016,"volume":"18","issue":"17","pages":"4340-4343"},"origin_organism":{"id":956,"type":"Fungus","genus":"Penicillium","species":"roseopurpureum (CMB-MF038)","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":"10.1021/acs.orglett.6b02099","structure_smiles":"CC1=CC(=C(C(=C1C(=O)O)O[C@H]2C(=O)C(=C([C@H]([C@]2(C)OC)O)O)C)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0015635"}],"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":"CO[C@@]1(C)[C@H](O)C(O)=C(C)C(=O)[C@@H]1OC1=C(C(O)=O)C(C)=CC(O)=C1C","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=OFAIPEZAGBTTCZ-RYRKJORJSA-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","Alcohols and polyols","Alkyl aryl ethers","Benzene and substituted derivatives","Benzenoids","Benzoic acids","Benzoic acids and derivatives","Benzoyl derivatives","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cresols","Cyclic alcohols and derivatives","Cyclic ketones","Cyclitols and derivatives","Cyclohexenones","Dialkyl ethers","Enols","Ethers","Hydrocarbon derivatives","Hydroxybenzoic acid derivatives","Ketones","Meta cresols","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Ortho cresols","Phenol ethers","Phenols","Phenoxy compounds","Secondary alcohols","Vinylogous acids","Xylenes","Xylenols","p-Xylenes","p-Xylenols"],"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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