{"id":19168,"npaid":"NPA019168","original_name":"Brevione E","mol_formula":"C28H34O7","mol_weight":"482.5730","exact_mass":"482.2305","inchikey":"JNDQPDZQDHPEAE-LADVZOBOSA-N","smiles":"CC(=O)O[C@@H]1O[C@H]2C/C(=C(/C)C(C)=O)O[C@]23C(C)=C[C@H]2O[C@H]4CC(=O)C=C(C)[C@@H]5CC[C@]13C2[C@@]45C","cluster_id":6192,"node_id":3399,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H34O7/c1-13-9-18(31)11-22-26(6)19(13)7-8-27-24(26)21(33-22)10-14(2)28(27)23(34-25(27)32-17(5)30)12-20(35-28)15(3)16(4)29/h9-10,19,21-25H,7-8,11-12H2,1-6H3/b20-15+/t19-,21+,22-,23-,24?,25+,26+,27-,28+/m0/s1","m_plus_h":"483.2378","m_plus_na":"505.2197","origin_reference":{"doi":"10.1021/jo0011078","pmid":11149849,"authors":"Macias; Varela; Simonet; Cutler; Dugan; Hill","title":"Novel bioactive breviane spiroditerpenoids from Penicillium brevicompactum Dierckx","journal":"Journal of Organic Chemistry","year":2000,"volume":"65","issue":"26","pages":"9039-9046"},"origin_organism":{"id":830,"type":"Fungus","genus":"Penicillium","species":"brevicompactum Dierckx","taxon":{"id":1239,"name":"Penicillium","rank":"genus","taxon_db":"mycobank","external_id":"9257","ncbi_id":5073,"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":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":[],"reassignments":[{"reference_doi":"10.1002/anie.202210938","structure_smiles":"CC(=O)O[C@@H]1O[C@H]2C/C(=C(/C)C(C)=O)O[C@]23C(C)=C[C@H]2O[C@H]4CC(=O)C=C(C)[C@@H]5CC[C@]13C2[C@@]45C"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.1021/jo0011078","structure_smiles":"CC1=C[C@H]2[C@H]3[C@]4([C@H](CC[C@]35[C@@]16[C@H](CC(=O)C(=C(O6)C)C)O[C@@H]5OC(=O)C)C(=CC(=O)C[C@H]4O2)C)C","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1002/anie.202210938","structure_smiles":"CC(=O)O[C@@H]1O[C@H]2C/C(=C(/C)C(C)=O)O[C@]23C(C)=C[C@H]2O[C@H]4CC(=O)C=C(C)[C@@H]5CC[C@]13C2[C@@]45C","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003592"}],"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(=O)C=C(C)[C@@]3([H])CC[C@]45[C@@]([H])(OC(C)=O)O[C@@]6([H])CC(=O)C(C)=C(C)O[C@]46C(C)=C[C@]([H])(O1)[C@@]5([H])[C@]23C","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=MPBWVNYITUYHFY-VKIAQROPSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000011","name":"Carbohydrates and carbohydrate conjugates","chemont_id":"CHEMONTID:0000011","description":"Monosaccharides, disaccharides, oligosaccharides, polysaccharides, and their derivatives."},"ancestors":["Acetals","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Dialkyl ethers","Ethers","Hydrocarbon derivatives","Ketones","Monocarboxylic acids and derivatives","Monosaccharides","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Tetrahydrofurans","Vinylogous esters"],"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 monosaccharides. 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