{"id":1250,"npaid":"NPA001250","original_name":"Yatakemycin","mol_formula":"C35H29N5O8S","mol_weight":"679.7110","exact_mass":"679.1737","inchikey":"CMFSXTISUXTEGX-QXPWRNTLSA-N","smiles":"COC1=C(O)C=C2C=C(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C3=C5C=C(C(=O)N4CCC5=C6C=C(C(=O)SC)NC6=C(OC)C(O)=C54)N3)NC2=C1","cluster_id":834,"node_id":723,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C35H29N5O8S/c1-47-25-10-19-14(7-23(25)41)6-20(36-19)33(45)40-13-15-12-35(15)18-9-21(37-28(18)24(42)11-26(35)40)32(44)39-5-4-16-17-8-22(34(46)49-3)38-27(17)31(48-2)30(43)29(16)39/h6-11,15,36-38,41,43H,4-5,12-13H2,1-3H3/t15-,35-/m1/s1","m_plus_h":"680.1810","m_plus_na":"702.1629","origin_reference":{"doi":"10.7164/antibiotics.56.107","pmid":12715869,"authors":"Igarashi, Yasuhiro; Futamata, Katsuyuki; Fujita, Tsuyoshi; Sekine, Akira; Senda, Hisato; Naoki, Hideo; Furumai, Tamotsu","title":"Yatakemycin, a novel antifungal antibiotic produced by Streptomyces sp. TP-A0356","journal":"Journal of Antibiotics","year":2003,"volume":"56","issue":"2","pages":"107-113"},"origin_organism":{"id":949,"type":"Bacterium","genus":"Streptomyces","species":"sp. TP-A0356","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":["10.1021/ja0472735","10.1021/ja0619455","10.1021/ja064228j","10.1039/b705665f","10.1002/asia.200700282"],"reassignments":[{"reference_doi":"10.1021/ja0472735","structure_smiles":"COC1=C(O)C=C2C=C(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C3=C5C=C(C(=O)N4CCC5=C6C=C(C(=O)SC)NC6=C(OC)C(O)=C54)N3)NC2=C1"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.7164/antibiotics.56.107","structure_smiles":"CC(=O)SC1=CC2=C3CCN(C3=C(C(=C2N1)OC)O)C(=O)C4=CC5=C(N4)C(=O)C=C6C57CC7CN6C(=O)C8=CC9=CC(=C(C=C9N8)O)OC","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/ja0472735","structure_smiles":"COC1=C(O)C=C2C=C(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C3=C5C=C(C(=O)N4CCC5=C6C=C(C(=O)SC)NC6=C(OC)C(O)=C54)N3)NC2=C1","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000466"},{"external_db_name":"npmrd","external_db_code":"NP0004583"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000211","name":"Indoles and derivatives","chemont_id":"CHEMONTID:0000211","description":"Organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring."},"smiles":"COC1=C(O)C=C2NC(=CC2=C1)C(=O)N1CC2CC22C3=C(NC(=C3)C(=O)N3CCC4=C5C=C(NC5=C(OC)C(O)=C34)SC(C)=O)C(=O)C=C12","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=CJTUMLYXLYEBOO-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001733","name":"Pyrroloindoles","chemont_id":"CHEMONTID:0001733","description":"Compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. 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Indole is a bicyclic  compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.","substituents":["Pyrroloindole","Indolecarboxylic acid derivative","Indolecarboxamide derivative","Hydroxyindole","N-acyl-piperidine","Indole","Pyrrole-2-carboxamide","Pyrrole-2-carboxylic acid or derivatives","2-heteroaryl carboxamide","Phenol ether","N-acylpyrrolidine","Aryl ketone","Aryl thioether","Anisole","Phenol","Alkyl aryl ether","1-hydroxy-2-unsubstituted benzenoid","Benzenoid","Piperidine","Substituted pyrrole","Pyrrolidine","Pyrrole","Vinylogous amide","Heteroaromatic compound","Tertiary carboxylic acid amide","Carboxamide group","Ketone","Carbothioic s-ester","Thiocarboxylic acid ester","Sulfenyl compound","Azacycle","Ether","Carboxylic acid derivative","Thiocarboxylic acid or derivatives","Organonitrogen compound","Organic oxygen compound","Hydrocarbon derivative","Organic oxide","Organic nitrogen compound","Organooxygen compound","Organosulfur compound","Carbonyl group","Aromatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001733","name":"Pyrroloindoles","chemont_id":"CHEMONTID:0001733","description":"Compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. 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They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004631","name":"Aryl thioethers","chemont_id":"CHEMONTID:0004631","description":"Organosulfur compounds containing a thioether group that is substituted by an aryl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003023","name":"N-acylpyrrolidines","chemont_id":"CHEMONTID:0003023","description":"N-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002556","name":"Pyrrole carboxamides","chemont_id":"CHEMONTID:0002556","description":"Heterocyclic compounds containing a pyrrole ring bearing a carboxamide."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000128","name":"Alkyl aryl ethers","chemont_id":"CHEMONTID:0000128","description":"Organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004646","name":"1-hydroxy-2-unsubstituted benzenoids","chemont_id":"CHEMONTID:0004646","description":"Phenols that a unsubstituted at the 2-position."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002257","name":"Substituted pyrroles","chemont_id":"CHEMONTID:0002257","description":"Heterocyclic compounds containing a pyrrole ring substituted at one or more positions."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001664","name":"Tertiary carboxylic acid amides","chemont_id":"CHEMONTID:0001664","description":"Compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003890","name":"Vinylogous amides","chemont_id":"CHEMONTID:0003890","description":"Organic compounds containing an amine group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004144","name":"Heteroaromatic compounds","chemont_id":"CHEMONTID:0004144","description":"Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001200","name":"Thioesters","chemont_id":"CHEMONTID:0001200","description":"Organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003872","name":"Carbothioic S-esters","chemont_id":"CHEMONTID:0003872","description":"Ester derivatives of carbothioic S-acids, with the general structure RSC(=O)R' where R = organyl group and R' = H or organyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004139","name":"Azacyclic compounds","chemont_id":"CHEMONTID:0004139","description":"Organic compounds containing an heterocycle with at least one nitrogen atom and one carbon atom linked to each other."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003260","name":"Sulfenyl compounds","chemont_id":"CHEMONTID:0003260","description":"Organosulfur compounds a sulfenyl group with the general formula RS (R = organyl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. 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