{"id":20508,"npaid":"NPA020508","original_name":"Phomactin F","mol_formula":"C20H30O4","mol_weight":"334.4560","exact_mass":"334.2144","inchikey":"UTBSUBYHIWUOSH-ZPTZPZITSA-N","smiles":"C[C@@H]1CC=C2C(=O)[C@@H]3[C@@](O3)(CC[C@@H]4[C@@](O4)(CC[C@@]1([C@]2(C)O)C)C)C","cluster_id":1290,"node_id":1088,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C20H30O4/c1-12-6-7-13-15(21)16-19(4,24-16)9-8-14-18(3,23-14)11-10-17(12,2)20(13,5)22/h7,12,14,16,22H,6,8-11H2,1-5H3/t12-,14-,16-,17+,18+,19+,20-/m1/s1","m_plus_h":"335.2217","m_plus_na":"357.2036","origin_reference":{"doi":"10.7164/antibiotics.48.1188","pmid":7490234,"authors":"SUGANO, MICHIHIRO; SATO, AIYA; IIJIMA, YASUTERU; FURUYA, KOUHEI; KUWANO, HARUMITSU; HATA, TADASHI","title":"Phomactin E, F, and G: New Phomactin-group PAF Antagonists from a Marine Fungus Phoma sp","journal":"Journal of Antibiotics","year":1995,"volume":"48","issue":"10","pages":"1188-1190"},"origin_organism":{"id":219,"type":"Fungus","genus":"Phoma","species":"sp.","taxon":{"id":723,"name":"Phoma","rank":"genus","taxon_db":"mycobank","external_id":"9358","ncbi_id":37463,"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":618,"name":"Dothideomycetes","rank":"class","taxon_db":"mycobank","external_id":"501481","ncbi_id":147541},{"id":645,"name":"Pleosporales","rank":"order","taxon_db":"mycobank","external_id":"90563","ncbi_id":92860}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.48.1188","structure_smiles":"C[C@@H]1CC=C2C(=O)[C@@H]3[C@@](O3)(CC[C@@H]4[C@@](O4)(CC[C@@]1([C@]2(C)O)C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0022221"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"[H][C@@]12CC[C@]3(C)O[C@]3([H])C(=O)C3=CC[C@@]([H])(C)[C@](C)(CC[C@]1(C)O2)[C@]3(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=UTBSUBYHIWUOSH-ZPTZPZITSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000129","name":"Alcohols and polyols","chemont_id":"CHEMONTID:0000129","description":"Organic compounds in which at least one hydroxyl functional group (-OH) is bound to a carbon atom, usually connected to other carbon or hydrogen atoms."},"ancestors":["Alcohols and polyols","Carbonyl compounds","Chemical entities","Dialkyl ethers","Epoxides","Ethers","Hydrocarbon derivatives","Ketones","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Tertiary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as tertiary alcohols. 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Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004140","name":"Oxacyclic compounds","chemont_id":"CHEMONTID:0004140","description":"Organic compounds containing an heterocycle with at least one oxygen atom linked to a ring carbon."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000159","name":"Epoxides","chemont_id":"CHEMONTID:0000159","description":"Compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001167","name":"Dialkyl ethers","chemont_id":"CHEMONTID:0001167","description":"Organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. 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