{"id":4059,"npaid":"NPA004059","original_name":"Esperamicin P","mol_formula":"C59H80N4O22S5","mol_weight":"1357.6300","exact_mass":"1356.3868","inchikey":"DKKLHNXVRAMXCI-VHMVMZDYSA-N","smiles":"CC1C(C(C(C(O1)O[C@H]2C#C/C=C\\C#C[C@@]\\3(C(C(=O)C(=C2/C3=C\\CSSSSC)NC(=O)OC)OC4CC(C(C(O4)C)O)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)OC6CC(C(CO6)NC(C)C)OC)O)NOC7CC(C(C(O7)C)SC)O","cluster_id":2157,"node_id":1720,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C59H80N4O22S5/c1-28(2)60-36-27-77-43(25-39(36)73-8)83-52-50(66)47(63-85-45-24-37(64)53(86-12)31(5)79-45)29(3)80-57(52)82-38-18-16-14-15-17-20-59(71)34(19-21-88-90-89-87-13)46(38)48(62-58(70)76-11)51(67)54(59)84-44-26-42(49(65)30(4)78-44)81-56(69)33-22-40(74-9)41(75-10)23-35(33)61-55(68)32(6)72-7/h14-15,19,22-23,28-31,36-39,42-45,47,49-50,52-54,57,60,63-66,71H,6,21,24-27H2,1-5,7-13H3,(H,61,68)(H,62,70)/b15-14-,34-19+/t29?,30?,31?,36?,37?,38-,39?,42?,43?,44?,45?,47?,49?,50?,52?,53?,54?,57?,59+/m0/s1","m_plus_h":"1357.3941","m_plus_na":"1379.3760","origin_reference":{"doi":"10.1021/np50107a010","pmid":8064295,"authors":"Beutler, John A.; Clark, Patrick; Alvarado, A. Belinda; Golik, Jerzy","title":"Esperamicin P, the Tetrasulfide Analog of Esperamicin A1","journal":"Journal of Natural Products","year":1994,"volume":"57","issue":"5","pages":"629-633"},"origin_organism":{"id":2344,"type":"Bacterium","genus":"Actinomadura","species":"verrucosospora","taxon":{"id":217,"name":"Actinomadura","rank":"genus","taxon_db":"lpsn","external_id":"517407","ncbi_id":1988,"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":205,"name":"Streptosporangiales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85012},{"id":215,"name":"Thermomonosporaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2012}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np50107a010","structure_smiles":"CC1C(C(C(C(O1)O[C@H]2C#C/C=C\\C#C[C@@]\\3(C(C(=O)C(=C2/C3=C\\CSSSSC)NC(=O)OC)OC4CC(C(C(O4)C)O)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)OC6CC(C(CO6)NC(C)C)OC)O)NOC7CC(C(C(O7)C)SC)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0022674"}],"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":"COC1CC(OC2C(O[C@H]3C#C\\C=C/C#C[C@]4(O)C(OC5CC(OC(=O)c6cc(OC)c(OC)cc6NC(=O)C(=C)OC)C(O)C(C)O5)C(=O)C(NC(=O)OC)=C3\\C4=C/CSSSSC)OC(C)C(NOC3CC(O)C(SC)C(C)O3)C2O)OCC1NC(C)C","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=DKKLHNXVRAMXCI-VHMVMZDYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000176","name":"Benzoic acids and derivatives","chemont_id":"CHEMONTID:0000176","description":"Organic compounds containing a carboxylic acid substituent attached to a benzene ring."},"ancestors":["Acetals","Acylaminobenzoic acid and derivatives","Alcohols and polyols","Alkyl aryl ethers","Alpha,beta-unsaturated carbonyl compounds","Alpha,beta-unsaturated ketones","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Anilides","Aniline and substituted anilines","Anisoles","Benzene and substituted derivatives","Benzenoids","Benzoic acid esters","Benzoic acids and derivatives","Benzoyl derivatives","Carbamate esters","Carbamic acids and derivatives","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Cyclohexenones","Dialkyl ethers","Dialkylamines","Dialkylthioethers","Dimethoxybenzenes","Ethers","Glycosyl compounds","Hydrocarbon derivatives","Ketones","M-methoxybenzoic acids and derivatives","Methoxyanilines","Methoxybenzenes","Methoxybenzoic acids and derivatives","Methylcarbamates","Monocarboxylic acids and derivatives","Monosaccharides","N-arylamides","N-organohydroxylamines","O-glycosyl compounds","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Oxacyclic compounds","Oxanes","P-methoxybenzoic acids and derivatives","Phenol ethers","Phenoxy compounds","Secondary alcohols","Secondary amines","Secondary carboxylic acid amides","Sulfenyl compounds","Tertiary alcohols","Thioethers","Vinylogous amides","Ynones"],"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 acylaminobenzoic acid and derivatives. 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