{"id":19217,"npaid":"NPA019217","original_name":"Lavendustin B","mol_formula":"C21H19NO5","mol_weight":"365.3850","exact_mass":"365.1263","inchikey":"RTYOLBQXFXYMKY-UHFFFAOYSA-N","smiles":"C1=CC=C(C(=C1)CN(CC2=CC=CC=C2O)C3=CC(=C(C=C3)O)C(=O)O)O","cluster_id":4874,"node_id":3511,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)","m_plus_h":"366.1336","m_plus_na":"388.1155","origin_reference":{"doi":"10.1021/np50066a009","pmid":2614420,"authors":"Onoda, T; Iinuma, H; Sasaki, Y; Hamada, M; Isshiki, K; Naganawa, H; Takeuchi, T; Tatsuta, K; Umezawa, K","title":"Isolation of a novel tyrosine kinase inhibitor, lavendustin A, from Streptomyces griseolavendus","journal":"Journal of Natural Products","year":1989,"volume":"52","issue":"6","pages":"1252-1257"},"origin_organism":{"id":4608,"type":"Bacterium","genus":"Streptomyces","species":"griseolavendus","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/np50066a009","structure_smiles":"C1=CC=C(C(=C1)CN(CC2=CC=CC=C2O)C3=CC(=C(C=C3)O)C(=O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"gnps","external_db_code":"CCMSLIB00010114308%lavendustin b CollisionEnergy:102040%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010114309%lavendustin b CollisionEnergy:102040%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010125633%lavendustin b CollisionEnergy:205060%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010125634%lavendustin b CollisionEnergy:205060%3"},{"external_db_name":"npmrd","external_db_code":"NP0014386"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002279","name":"Benzene and substituted derivatives","chemont_id":"CHEMONTID:0002279","description":"Aromatic compounds containing one monocyclic ring system consisting of benzene."},"smiles":"OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1ccccc1O","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=RTYOLBQXFXYMKY-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000185","name":"Phenylmethylamines","chemont_id":"CHEMONTID:0000185","description":"Compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Aminobenzoic acids","Aminobenzoic acids and derivatives","Aminophenols","Aniline and substituted anilines","Aralkylamines","Benzene and substituted derivatives","Benzenoids","Benzoic acids","Benzoic acids and derivatives","Benzoyl derivatives","Benzylamines","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylarylamines","Hydrocarbon derivatives","Hydroxybenzoic acid derivatives","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenols","Phenylbenzamines","Phenylmethylamines","Salicylic acid and derivatives","Salicylic acids","Tertiary alkylarylamines","Tertiary amines","Vinylogous acids","p-Aminophenols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},"description":"This compound belongs to the class of organic compounds known as phenylbenzamines. 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