{"id":33372,"npaid":"NPA033372","original_name":"Tasikamide C","mol_formula":"C61H78N8O12","mol_weight":"1115.3390","exact_mass":"1114.5739","inchikey":"DIWCSROTVGTFRT-QATYYFFQSA-N","smiles":"CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)C(C)=NNC2=C(C(=O)OCCCCCCCC(C)C)C=C(O)C=C2)[C@@H](C2=CC=CC=C2)OC(=O)C[C@H](C)NC(=O)[C@@H](CC2=C[NH]C3=C2C=CC=C3OC)NC(=O)[C@H]([C@@H](O)C2=CC=CC=C2)N(C)C1=O","cluster_id":9604,"node_id":6423,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C61H78N8O12/c1-9-37(4)50-60(77)69(7)53(54(72)40-23-16-13-17-24-40)59(76)64-47(33-42-35-62-51-44(42)27-21-28-48(51)79-8)57(74)63-38(5)32-49(71)81-55(41-25-18-14-19-26-41)52(58(75)65-50)66-56(73)39(6)67-68-46-30-29-43(70)34-45(46)61(78)80-31-20-12-10-11-15-22-36(2)3/h13-14,16-19,21,23-30,34-38,47,50,52-55,62,68,70,72H,9-12,15,20,22,31-33H2,1-8H3,(H,63,74)(H,64,76)(H,65,75)(H,66,73)/t37-,38-,47+,50-,52-,53-,54-,55+/m0/s1","m_plus_h":"1115.5812","m_plus_na":"1137.5631","origin_reference":{"doi":"10.1021/jacs.1c10369","pmid":35060699,"authors":"Ma, Guang-Lei; Candra, Hartono; Pang, Li Mei; Xiong, Juan; Ding, Yichen; Tran, Hoa Thi; Zhen, Jie Low; Ye, Hong; Liu, Min; Zheng, Jie; Fang, Mingliang; Cao, Bin; Liang, Zhao-Xun","title":"Biosynthesis of Tasikamides via Pathway Coupling and Diazonium-Mediated Hydrazone Formation","journal":"Journal of the American Chemical Society","year":2022,"volume":"144","issue":"4","pages":"1622-1633"},"origin_organism":{"id":10785,"type":"Bacterium","genus":"Streptomyces","species":"tasikensis P46","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":"10.1021/jacs.1c10369","structure_smiles":"CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)C(C)=NNC2=C(C(=O)OCCCCCCCC(C)C)C=C(O)C=C2)[C@@H](C2=CC=CC=C2)OC(=O)C[C@H](C)NC(=O)[C@@H](CC2=C[NH]C3=C2C=CC=C3OC)NC(=O)[C@H]([C@@H](O)C2=CC=CC=C2)N(C)C1=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"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":"CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)C(C)=NNC2=C(C=C(O)C=C2)C(=O)OCCCCCCCC(C)C)[C@H](OC(=O)C[C@H](C)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3OC)NC(=O)[C@H]([C@@H](O)C2=CC=CC=C2)N(C)C1=O)C1=CC=CC=C1","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=DIWCSROTVGTFRT-QATYYFFQSA-N","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":["1-hydroxy-2-unsubstituted benzenoids","Alcohols and polyols","Alkyl aryl ethers","Alpha amino acid amides","Alpha amino acids and derivatives","Alpha,beta-unsaturated carboxylic esters","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Anisoles","Aromatic alcohols","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Benzoic acid esters","Benzoic acids and derivatives","Benzoyl derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkylamines","Dicarboxylic acids and derivatives","Enoate esters","Ethers","Fatty Acyls","Fatty acid esters","Fatty amides","Heteroaromatic compounds","Hydrazines and derivatives","Hydrazones","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Isoleucine and derivatives","Lactams","Lactones","Lipids and lipid-like molecules","Macrolactams","N-acyl amines","N-acyl-alpha amino acids and derivatives","Oligopeptides","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Peptides","Phenol ethers","Phenols","Phenylhydrazines","Phenylpropanoids and polyketides","Pyrroles","Secondary alcohols","Secondary amines","Substituted pyrroles","Tertiary carboxylic acid amides","Vinylogous amides","m-Hydroxybenzoic acid esters"],"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 oligopeptides. 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