{"id":25807,"npaid":"NPA025807","original_name":"Curtachalasin H","mol_formula":"C30H37NO7","mol_weight":"523.6260","exact_mass":"523.2570","inchikey":"ABHQOBWTOVOPRN-BOCPRGGISA-N","smiles":"CC(=O)OC1[C@H]2C(=C[C@H]3[C@@H](O)C(C)=C(C)[C@H]4[C@H](CC5=CC=CC=C5)NC(=O)[C@]143)C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O","cluster_id":57,"node_id":53,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H37NO7/c1-14-11-20-13-21-25(34)16(3)15(2)24-22(12-19-9-7-6-8-10-19)31-28(36)29(21,24)27(38-18(5)33)23(20)26(35)30(14,37)17(4)32/h6-10,13-14,21-27,34-35,37H,11-12H2,1-5H3,(H,31,36)/t14-,21-,22-,23-,24-,25-,26+,27?,29-,30+/m0/s1","m_plus_h":"524.2643","m_plus_na":"546.2462","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)OC1[C@H]2C(=C[C@H]3[C@@H](O)C(C)=C(C)[C@H]4[C@H](CC5=CC=CC=C5)NC(=O)[C@]143)C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0020348"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001819","name":"Isoindoles and derivatives","chemont_id":"CHEMONTID:0001819","description":"Polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring."},"smiles":"[H][C@@]1(CC2=CC=CC=C2)N=C(O)[C@]23[C@@]1([H])C(C)=C(C)[C@]([H])(O)[C@]2([H])C=C1C[C@]([H])(C)[C@@](O)(C(C)=O)[C@]([H])(O)[C@@]1([H])C3([H])OC(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=ABHQOBWTOVOPRN-BOCPRGGISA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000127","name":"Isoindoles","chemont_id":"CHEMONTID:0000127","description":"Heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole."},"ancestors":["Alcohols and polyols","Alpha-hydroxy ketones","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Cyclic carboximidic acids","Hydrocarbon derivatives","Isoindoles","Isoindoles and derivatives","Ketones","Monocarboxylic acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Polyols","Propargyl-type 1,3-dipolar organic compounds","Pyrrolines","Secondary alcohols","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 isoindoles. 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