{"id":21644,"npaid":"NPA021644","original_name":"Fusarielin J","mol_formula":"C33H46O6","mol_weight":"538.7250","exact_mass":"538.3294","inchikey":"AOBUBCCLDFTBKJ-FSWFDHHQSA-N","smiles":"C/C=C(\\C)/[C@H]1[C@H]([C@@H]2C[C@H]([C@](C[C@H]2[C@H]3[C@@]1(O3)C)(C)O)OC(=O)CC4=CC=CC=C4)/C=C/C=C(\\C)/[C@H]([C@@H](C)CO)O","cluster_id":408,"node_id":367,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C33H46O6/c1-7-20(2)29-24(15-11-12-21(3)30(36)22(4)19-34)25-17-27(38-28(35)16-23-13-9-8-10-14-23)32(5,37)18-26(25)31-33(29,6)39-31/h7-15,22,24-27,29-31,34,36-37H,16-19H2,1-6H3/b15-11+,20-7+,21-12+/t22-,24-,25-,26+,27+,29-,30+,31-,32+,33+/m0/s1","m_plus_h":"539.3367","m_plus_na":"561.3186","origin_reference":{"doi":"10.1038/ja.2017.21","pmid":28270687,"authors":"Hemphill, Catalina F Pérez; Sureechatchaiyan, Parichat; Kassack, Matthias U.; Orfali, Raha S.; Lin, Wenhan; Daletos, Georgios; Proksch, Peter","title":"OSMAC approach leads to new fusarielin metabolites from Fusarium tricinctum","journal":"Journal of Antibiotics","year":2017,"volume":"70","issue":"6","pages":"726-732"},"origin_organism":{"id":3041,"type":"Fungus","genus":"Fusarium","species":"tricinctum","taxon":{"id":927,"name":"Fusarium","rank":"genus","taxon_db":"mycobank","external_id":"8284","ncbi_id":5506,"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":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":899,"name":"Hypocreales","rank":"order","taxon_db":"mycobank","external_id":"90477","ncbi_id":5125},{"id":921,"name":"Nectriaceae","rank":"family","taxon_db":"mycobank","external_id":"81059","ncbi_id":110618}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1038/ja.2017.21","structure_smiles":"C/C=C(\\C)/[C@H]1[C@H]([C@@H]2C[C@H]([C@](C[C@H]2[C@H]3[C@@]1(O3)C)(C)O)OC(=O)CC4=CC=CC=C4)/C=C/C=C(\\C)/[C@H]([C@@H](C)CO)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0016287"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003909","name":"Fatty Acyls","chemont_id":"CHEMONTID:0003909","description":"Organic molecules synthesized by chain elongation of an acetyl-CoA primer with malonyl-CoA (or methylmalonyl-CoA) groups that might contain a cyclic functionality and/or are substituted with heteroatoms."},"smiles":"[H]\\C(C)=C(\\C)[C@@]1([H])[C@@]([H])(C(\\[H])=C(/[H])\\C(\\[H])=C(/C)[C@@]([H])(O)[C@@]([H])(C)CO)[C@]2([H])C[C@@]([H])(OC(=O)CC3=CC=CC=C3)[C@](C)(O)C[C@@]2([H])[C@]2([H])O[C@]12C","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=AOBUBCCLDFTBKJ-FSWFDHHQSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001334","name":"Fatty alcohols","chemont_id":"CHEMONTID:0001334","description":"Aliphatic alcohols consisting of a chain of a least six carbon atoms."},"ancestors":["Alcohols and polyols","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Dialkyl ethers","Epoxides","Ethers","Fatty Acyls","Fatty alcohols","Hydrocarbon derivatives","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","Oxepanes","Primary alcohols","Secondary alcohols","Tertiary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as fatty alcohols. 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