{"id":11095,"npaid":"NPA011095","original_name":"Ohmyungsamycin A","mol_formula":"C75H119N13O16","mol_weight":"1458.8520","exact_mass":"1457.8898","inchikey":"LPGQEQIUSHQVNJ-FNWLGHLBSA-N","smiles":"C[C@@H]1[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C(C)C)[C@@H](C2=CC=CC=C2)O)C(C)C)CC3=CNC4=C3C(=CC=C4)OC)C)C(C)C)C)C(C)C)CC(C)C)C)C(C)C)[C@@H](C)O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC","cluster_id":1494,"node_id":1228,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C75H119N13O16/c1-36(2)33-49-64(91)80-57(41(11)12)72(99)87(22)61(43(15)16)74(101)86(21)50(34-47-35-77-48-31-28-32-51(103-24)52(47)48)65(92)78-54(38(5)6)68(95)84-60(63(90)46-29-26-25-27-30-46)69(96)82-58(42(13)14)75(102)104-45(18)59(83-67(94)55(39(7)8)79-66(93)53(76-19)37(3)4)73(100)88(23)62(44(17)89)70(97)81-56(40(9)10)71(98)85(49)20/h25-32,35-45,49-50,53-63,76-77,89-90H,33-34H2,1-24H3,(H,78,92)(H,79,93)(H,80,91)(H,81,97)(H,82,96)(H,83,94)(H,84,95)/t44-,45-,49+,50+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-/m1/s1","m_plus_h":"1458.8971","m_plus_na":"1480.8790","origin_reference":{"doi":"10.1021/jo401974g","pmid":24266328,"authors":"Um, Soohyun; Choi, Tae Joon; Kim, Heegyu; Kim, Byung Yong; Kim, Seong-Hwan; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon; Oh, Dong-Chan","title":"Ohmyungsamycins A and B: Cytotoxic and antimicrobial cyclic peptides produced by Streptomyces sp. from a volcanic island","journal":"Journal of Organic Chemistry","year":2013,"volume":"78","issue":"24","pages":"12321-12329"},"origin_organism":{"id":3898,"type":"Bacterium","genus":"Streptomyces","species":"sp.","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/jo401974g","structure_smiles":"C[C@@H]1[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C(C)C)[C@@H](C2=CC=CC=C2)O)C(C)C)CC3=CNC4=C3C(=CC=C4)OC)C)C(C)C)C)C(C)C)CC(C)C)C)C(C)C)[C@@H](C)O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002293"},{"external_db_name":"npmrd","external_db_code":"NP0012281"}],"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":"CN[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC2=CNC3=C2C(OC)=CC=C3)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)N(C)C1=O)C(C)C)C(C)C)C(C)C)[C@H](O)C1=CC=CC=C1)C(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=LPGQEQIUSHQVNJ-FNWLGHLBSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001961","name":"Depsipeptides","chemont_id":"CHEMONTID:0001961","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating."},"ancestors":["3-alkylindoles","Alcohols and polyols","Alkyl aryl ethers","Alpha amino acid amides","Alpha amino acid esters","Alpha amino acids and derivatives","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Anisoles","Aromatic alcohols","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic depsipeptides","Depsipeptides","Dialkylamines","Ethers","Fatty Acyls","Fatty amides","Heteroaromatic compounds","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Lactams","Lactones","Lipids and lipid-like molecules","Macrolactams","Macrolide lactams","Macrolides and analogues","Monocarboxylic acids and derivatives","N-acyl amines","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","Oxacyclic compounds","Peptidomimetics","Phenol ethers","Phenylpropanoids and polyketides","Pyrroles","Secondary alcohols","Secondary amines","Secondary carboxylic acid amides","Substituted pyrroles","Tertiary carboxylic acid amides","Valine and derivatives"],"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 cyclic depsipeptides. 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