{"id":25809,"npaid":"NPA025809","original_name":"Curtachalasin J","mol_formula":"C30H39NO8","mol_weight":"541.6410","exact_mass":"541.2676","inchikey":"PZEYZPGMULDSAE-RLNAPVKGSA-N","smiles":"CC(=O)O[C@@H]1[C@H]2[C@@H](C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O)[C@H](O)[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](CC4=CC=CC=C4)NC(=O)[C@]213","cluster_id":57,"node_id":53,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H39NO8/c1-13-11-19-21(26(36)30(13,38)16(4)32)27(39-17(5)33)29-22(14(2)15(3)24(34)23(29)25(19)35)20(31-28(29)37)12-18-9-7-6-8-10-18/h6-10,13,19-27,34-36,38H,11-12H2,1-5H3,(H,31,37)/t13-,19+,20-,21-,22-,23+,24+,25-,26+,27+,29+,30+/m0/s1","m_plus_h":"542.2749","m_plus_na":"564.2568","origin_reference":{"doi":"10.1039/c9ob01552c","pmid":31408074,"authors":"Wang, Wen-Xuan; Cheng, Gui-Guang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Li, Jing; Feng, Tao; Liu, Ji-Kai","title":"Curtachalasins, immunosuppressive agents from the endophytic fungus: Xylaria cf. curta","journal":"Organic & Biomolecular Chemistry","year":2019,"volume":"17","issue":"34","pages":"7985-7994"},"origin_organism":{"id":9376,"type":"Fungus","genus":"Xylaria","species":"cf. curta","taxon":{"id":1016,"name":"Xylaria","rank":"genus","taxon_db":"mycobank","external_id":"5832","ncbi_id":37991,"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":993,"name":"Xylariales","rank":"order","taxon_db":"mycobank","external_id":"90505","ncbi_id":37989},{"id":1005,"name":"Xylariaceae","rank":"family","taxon_db":"mycobank","external_id":"81528","ncbi_id":37990}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1039/c9ob01552c","structure_smiles":"CC(=O)O[C@@H]1[C@H]2[C@@H](C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O)[C@H](O)[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](CC4=CC=CC=C4)NC(=O)[C@]213","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0020350"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000130","name":"Azaspirodecane derivatives","chemont_id":"CHEMONTID:0000130","description":"Organic compounds containing a spirodecane moiety with at least one nitrogen atom."},"smiles":"C[C@H]1C[C@H]2[C@H](O)[C@H]3[C@H](O)C(C)=C(C)[C@H]4[C@H](CC5=CC=CC=C5)NC(=O)[C@@]34[C@H](OC(C)=O)[C@@H]2[C@@H](O)[C@]1(O)C(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=PZEYZPGMULDSAE-RLNAPVKGSA-N","subclass":null,"ancestors":["Alcohols and polyols","Alpha-hydroxy ketones","Azacyclic compounds","Azaspirodecane derivatives","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Hydrocarbon derivatives","Isoindoles","Isoindoles and derivatives","Isoindolines","Isoindolones","Ketones","Lactams","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Polyols","Pyrrolidine-2-ones","Pyrrolidines","Pyrrolidones","Secondary alcohols","Secondary carboxylic acid amides","Tertiary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as azaspirodecane derivatives. 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