{"id":21262,"npaid":"NPA021262","original_name":"Rotihibin B","mol_formula":"C35H62N10O14","mol_weight":"846.9370","exact_mass":"846.4447","inchikey":"UKZCPYJTHXIGBQ-ZLYGYSDWSA-N","smiles":"CCCCCCC/C=C/C(=O)N[C@H](CCCNC(=O)N)C(=O)N[C@H](CO)C(=O)N[C@H](CCNC(=O)[C@@H]([C@H](C)O)N)C(=O)N[C@H]([C@@H](C(=O)O)O)C(=O)N[C@H](CC(=O)N)CO","cluster_id":6640,"node_id":4606,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C35H62N10O14/c1-3-4-5-6-7-8-9-12-25(50)42-21(11-10-14-40-35(38)59)29(52)44-23(18-47)31(54)43-22(13-15-39-32(55)26(37)19(2)48)30(53)45-27(28(51)34(57)58)33(56)41-20(17-46)16-24(36)49/h9,12,19-23,26-28,46-48,51H,3-8,10-11,13-18,37H2,1-2H3,(H2,36,49)(H,39,55)(H,41,56)(H,42,50)(H,43,54)(H,44,52)(H,45,53)(H,57,58)(H3,38,40,59)/b12-9+/t19-,20+,21+,22+,23+,26+,27+,28-/m0/s1","m_plus_h":"847.4520","m_plus_na":"869.4339","origin_reference":{"doi":"10.7164/antibiotics.48.1004","pmid":7592044,"authors":"Fukuchi N; Furihata K; Nakayama J; Goudo T; Takayama S; Isogai A; Suzuki A","title":"Rotihibins, Novel Plant Growth Regulators from Streptomyces graminofadens","journal":"Journal of Antibiotics","year":1995,"volume":"48","issue":"9","pages":"1004-1010"},"origin_organism":{"id":6479,"type":"Bacterium","genus":"Streptomyces","species":"gtaminofaciens 3C02","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":"10.7164/antibiotics.48.1004","structure_smiles":"CCCCCCC/C=C/C(=O)N[C@H](CCCNC(=O)N)C(=O)N[C@H](CO)C(=O)N[C@H](CCNC(=O)[C@@H]([C@H](C)O)N)C(=O)N[C@H]([C@@H](C(=O)O)O)C(=O)N[C@H](CC(=O)N)CO","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0022278"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001813","name":"Peptidomimetics","chemont_id":"CHEMONTID:0001813","description":"Compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide."},"smiles":"[H]\\C(CCCCCCC)=C(\\[H])C(O)=N[C@]([H])(CCCNC(O)=N)C(O)=N[C@]([H])(CO)C(O)=N[C@]([H])(CCN=C(O)[C@]([H])(N)[C@]([H])(C)O)C(O)=N[C@@]([H])(C(O)=N[C@@]([H])(CO)CC(O)=N)[C@]([H])(O)C(O)=O","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=UKZCPYJTHXIGBQ-ZLYGYSDWSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002010","name":"Hybrid peptides","chemont_id":"CHEMONTID:0002010","description":"Compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond."},"ancestors":["Alcohols and polyols","Alpha hydroxy acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Carbonyl compounds","Carboximidamides","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Hybrid peptides","Hydrocarbon derivatives","Hydroxy acids and derivatives","Imines","Isoureas","Monoalkylamines","Monocarboxylic acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptidomimetics","Primary alcohols","Primary amines","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols"],"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 hybrid peptides. 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