{"id":11411,"npaid":"NPA011411","original_name":"Spiromastixone J","mol_formula":"C20H18Cl4O5","mol_weight":"480.1710","exact_mass":"477.9908","inchikey":"LGBNCRLLRCTJOP-UHFFFAOYSA-N","smiles":"CCCC1=C2C(=C(C(=C1Cl)O)Cl)OC3=C(C(=C(C(=C3OC2=O)Cl)OC)Cl)CCC","cluster_id":650,"node_id":577,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C20H18Cl4O5/c1-4-6-8-10-17(13(23)15(25)11(8)21)28-16-9(7-5-2)12(22)18(27-3)14(24)19(16)29-20(10)26/h25H,4-7H2,1-3H3","m_plus_h":"478.9981","m_plus_na":"500.9800","origin_reference":{"doi":"10.1021/np5000457","pmid":24571273,"authors":"Niu, Siwen; Liu, Dong; Hu, Xinxin; Proksch, Peter; Shao, Zhongzhe; Lin, Wenhan","title":"Spiromastixones A-O, antibacterial chlorodepsidones from a deep-sea-derived Spiromastix sp. fungus","journal":"Journal of Natural Products","year":2014,"volume":"77","issue":"4","pages":"1021-1030"},"origin_organism":{"id":737,"type":"Fungus","genus":"Spiromastix","species":"sp.","taxon":{"id":1233,"name":"Spiromastix","rank":"genus","taxon_db":"mycobank","external_id":"5152","ncbi_id":37234,"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":1213,"name":"Onygenales","rank":"order","taxon_db":"mycobank","external_id":"90487","ncbi_id":33183},{"id":1232,"name":"Spiromastigaceae","rank":"family","taxon_db":"mycobank","external_id":"811851","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np5000457","structure_smiles":"CCCC1=C2C(=C(C(=C1Cl)O)Cl)OC3=C(C(=C(C(=C3OC2=O)Cl)OC)Cl)CCC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0012566"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001645","name":"Depsides and depsidones","chemont_id":"CHEMONTID:0001645","description":"Polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone)."},"smiles":"CCCC1=C2OC3=C(Cl)C(O)=C(Cl)C(CCC)=C3C(=O)OC2=C(Cl)C(OC)=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=LGBNCRLLRCTJOP-UHFFFAOYSA-N","subclass":null,"ancestors":["1,4-dioxepines","Alkyl aryl ethers","Anisoles","Aryl chlorides","Aryl halides","Benzenoids","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Depsides and depsidones","Diarylethers","Dioxepines","Ethers","Halophenols","Hydrocarbon derivatives","Lactones","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Phenol ethers","Phenols","Phenylpropanoids and polyketides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000261","name":"Phenylpropanoids and polyketides","chemont_id":"CHEMONTID:0000261","description":"Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). 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