{"id":6531,"npaid":"NPA006531","original_name":"Pseudogymnoascin C","mol_formula":"C20H19NO12","mol_weight":"465.3670","exact_mass":"465.0907","inchikey":"OCYICDINBUIUEQ-UHFFFAOYSA-N","smiles":"CC1=CC(=C(C(=C1)OC2=C(C=C(C(=C2C(=O)OC)[N+](=O)[O-])O)OC)C(=O)OC(C)C(=O)O)O","cluster_id":3018,"node_id":11,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C20H19NO12/c1-8-5-10(22)14(20(27)32-9(2)18(24)25)12(6-8)33-17-13(30-3)7-11(23)16(21(28)29)15(17)19(26)31-4/h5-7,9,22-23H,1-4H3,(H,24,25)","m_plus_h":"466.0980","m_plus_na":"488.0799","origin_reference":{"doi":"10.1021/np500906k","pmid":25732560,"authors":"Figueroa, Luis; Jiménez, Carlos; Rodríguez, Jaime; Areche, Carlos; Chávez, Renato; Henríquez, Marlene; De La Cruz, Mercedes; Díaz, Caridad; Segade, Yuri; Vaca, Inmaculada","title":"3-nitroasterric acid derivatives from an Antarctic sponge-derived Pseudogymnoascus sp. fungus","journal":"Journal of Natural Products","year":2015,"volume":"78","issue":"4","pages":"919-923"},"origin_organism":{"id":3159,"type":"Fungus","genus":"Pseudogymnoascus","species":"sp.","taxon":{"id":1314,"name":"Pseudogymnoascus","rank":"genus","taxon_db":"mycobank","external_id":"4436","ncbi_id":78156,"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":1306,"name":"Ascomycetes","rank":"class","taxon_db":"mycobank","external_id":"90028","ncbi_id":null},{"id":1310,"name":"Myxotrichaceae","rank":"family","taxon_db":"mycobank","external_id":"81054","ncbi_id":37240}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np500906k","structure_smiles":"CC1=CC(=C(C(=C1)OC2=C(C=C(C(=C2C(=O)OC)[N+](=O)[O-])O)OC)C(=O)OC(C)C(=O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013860"}],"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":"COC(=O)c1c(Oc2cc(C)cc(O)c2C(=O)OC(C)C(O)=O)c(OC)cc(O)c1[N+]([O-])=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=OCYICDINBUIUEQ-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","1-hydroxy-4-unsubstituted benzenoids","Alkyl aryl ethers","Allyl-type 1,3-dipolar organic compounds","Aniline and substituted anilines","Anisoles","Benzene and substituted derivatives","Benzenoids","Benzoic acid esters","Benzoic acids and derivatives","Benzoyl derivatives","C-nitro compounds","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cresols","Diarylethers","Diphenylethers","Ethers","Hydrocarbon derivatives","Hydroxybenzoic acid derivatives","M-methoxybenzoic acids and derivatives","Meta cresols","Methoxyanilines","Methoxybenzenes","Methoxybenzoic acids and derivatives","Methoxyphenols","Methyl esters","Nitroaromatic compounds","Nitrobenzenes","Nitrobenzoic acids and derivatives","Nitrophenols","Nitrophenyl ethers","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitro compounds","Organic nitrogen compounds","Organic oxides","Organic oxoazanium compounds","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenol ethers","Phenols","Phenoxy compounds","Propargyl-type 1,3-dipolar organic compounds","Salicylic acid and derivatives","Toluenes","Tricarboxylic acids and derivatives","Vinylogous acids","m-Hydroxybenzoic acid esters","o-Hydroxybenzoic acid esters"],"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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