{"id":7775,"npaid":"NPA007775","original_name":"Iminimycin B","mol_formula":"C22H27N2O3S+","mol_weight":"399.5360","exact_mass":"399.1737","inchikey":"WAROMXVVDNYFEL-IKWXCPILSA-O","smiles":"C/C=C(\\C)/C=C/C=C/[C@H]1[C@@H]2C[C@@H]2C3=C(C=CC=[N+]13)SC[C@@H](C(=O)O)NC(=O)C","cluster_id":3432,"node_id":2593,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H26N2O3S/c1-4-14(2)8-5-6-9-19-16-12-17(16)21-20(10-7-11-24(19)21)28-13-18(22(26)27)23-15(3)25/h4-11,16-19H,12-13H2,1-3H3,(H-,23,25,26,27)/p+1/b8-5+,9-6+,14-4+/t16-,17+,18+,19+/m1/s1","m_plus_h":"400.1810","m_plus_na":"422.1629","origin_reference":{"doi":"10.1016/j.tetlet.2016.06.040","pmid":null,"authors":"Nakashima, Takuji; Miyano, Rei; Matsuo, Hirotaka; Iwatsuki, Masato; Shirahata, Tatsuya; Kobayashi, Yoshinori; Shiomi, Kazuro; Petersson, George A.; Takahashi, Yōko; Ōmura, Satoshi","title":"Absolute configuration of iminimycin B, a new indolizidine alkaloid, from Streptomyces griseus OS-3601","journal":"Tetrahedron Letters","year":2016,"volume":"57","issue":"30","pages":"3284-3286"},"origin_organism":{"id":3503,"type":"Bacterium","genus":"Streptomyces","species":"griseus OS-3601","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.tetlet.2016.06.040","structure_smiles":"C/C=C(\\C)/C=C/C=C/[C@H]1[C@@H]2C[C@@H]2C3=C(C=CC=[N+]13)SC[C@@H](C(=O)O)NC(=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0236178"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"[H]\\C(C)=C(\\C)/C(/[H])=C(\\[H])/C(/[H])=C(\\[H])[C@]1([H])[N+]2=CC=CC(SC[C@]([H])(N=C(C)O)C(O)=O)=C2[C@@]2([H])C[C@@]12[H]","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=WAROMXVVDNYFEL-IKWXCPILSA-O","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["Alkylarylthioethers","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Aryl thioethers","Azacyclic compounds","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cysteine and derivatives","Heteroaromatic compounds","Hydrocarbon derivatives","Monocarboxylic acids and derivatives","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","Organic acids and derivatives","Organic cations","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Pyridines and derivatives","Pyridinium derivatives","Sulfenyl compounds","Thioethers"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. 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