{"id":4512,"npaid":"NPA004512","original_name":"Thiochondrilline A","mol_formula":"C27H37N5O7S3","mol_weight":"639.8220","exact_mass":"639.1855","inchikey":"FAHSFXZEUSTLEQ-AABGKKOBSA-N","smiles":"CN([C@@H](CSC)C(=O)N(C)[C@@H](CSC)C(=O)OC)C(=O)CNC(=O)[C@@H](CSC)NC(=O)C1=NC2=CC=CC=C2C=C1O","cluster_id":2336,"node_id":1844,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C27H37N5O7S3/c1-31(19(14-41-5)26(37)32(2)20(15-42-6)27(38)39-3)22(34)12-28-24(35)18(13-40-4)30-25(36)23-21(33)11-16-9-7-8-10-17(16)29-23/h7-11,18-20,33H,12-15H2,1-6H3,(H,28,35)(H,30,36)/t18-,19+,20+/m1/s1","m_plus_h":"640.1928","m_plus_na":"662.1747","origin_reference":{"doi":"10.1021/jo200661n","pmid":21736356,"authors":"Wyche, Thomas P.; Hou, Yanpeng; Braun, Doug; Cohen, Hannah C.; Xiong, May P.; Bugni, Tim S.","title":"First Natural Analogs of the Cytotoxic Thiodepsipeptide Thiocoraline A from a Marine Verrucosispora sp","journal":"Journal of Organic Chemistry","year":2011,"volume":"76","issue":"16","pages":"6542-6547"},"origin_organism":{"id":1333,"type":"Bacterium","genus":"Verrucosispora","species":"sp.","taxon":{"id":257,"name":"Verrucosispora","rank":"genus","taxon_db":"lpsn","external_id":"516898","ncbi_id":84593,"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":246,"name":"Micromonosporales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85008},{"id":247,"name":"Micromonosporaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":28056}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/jo200661n","structure_smiles":"CN([C@@H](CSC)C(=O)N(C)[C@@H](CSC)C(=O)OC)C(=O)CNC(=O)[C@@H](CSC)NC(=O)C1=NC2=CC=CC=C2C=C1O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0010170"}],"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":"COC(=O)[C@H](CSC)N(C)C(=O)[C@H](CSC)N(C)C(=O)CNC(=O)[C@@H](CSC)NC(=O)C1=NC2=CC=CC=C2C=C1O","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=FAHSFXZEUSTLEQ-AABGKKOBSA-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":["2-heteroaryl carboxamides","Alpha amino acid amides","Alpha amino acid esters","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cysteine and derivatives","Dialkylthioethers","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroxypyridines","Hydroxyquinolines","Methyl esters","Monocarboxylic acids and derivatives","N-acyl-alpha amino 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","Organosulfur compounds","Peptides","Pyridinecarboxylic acids and derivatives","Pyridines and derivatives","Quinoline carboxamides","Quinolines and derivatives","Secondary carboxylic acid amides","Sulfenyl compounds","Tertiary carboxylic acid amides","Thioethers","Vinylogous acids"],"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 peptides. 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