{"id":10034,"npaid":"NPA010034","original_name":"Schizotrin A","mol_formula":"C72H107N13O21","mol_weight":"1490.7180","exact_mass":"1489.7704","inchikey":"WQUIFMUZEMMABK-PLYNYAALSA-N","smiles":"CCCC(=O)N(C)[C@@H](C)C(=O)OC(CC1C(C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N3CCC[C@H]3C(=O)N1)CCC4=CC=C(C=C4)OC)CO)CO)C(C)C)CC5=CC=CC=C5)CCC(=O)N)O)CC(C(CC(C)C)O)O","cluster_id":26,"node_id":25,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C72H107N13O21/c1-10-17-58(91)83(8)41(7)72(104)106-45(35-56(89)55(88)32-39(3)4)34-49-61(93)70(102)76-47(28-29-57(73)90)62(94)74-36-59(92)84-30-15-20-53(84)67(99)79-50(33-43-18-13-12-14-19-43)64(96)82-60(40(5)6)69(101)81-52(38-87)65(97)75-46(11-2)63(95)80-51(37-86)66(98)77-48(27-24-42-22-25-44(105-9)26-23-42)71(103)85-31-16-21-54(85)68(100)78-49/h11-14,18-19,22-23,25-26,39-41,45,47-56,60-61,86-89,93H,10,15-17,20-21,24,27-38H2,1-9H3,(H2,73,90)(H,74,94)(H,75,97)(H,76,102)(H,77,98)(H,78,100)(H,79,99)(H,80,95)(H,81,101)(H,82,96)/b46-11+/t41-,45?,47-,48?,49?,50-,51-,52-,53-,54-,55?,56?,60-,61?/m0/s1","m_plus_h":"1490.7777","m_plus_na":"1512.7596","origin_reference":{"doi":"10.1016/s0040-4039(00)74436-4","pmid":null,"authors":"Pergament, Inna; Carmeli, Shmuel","title":"Schizotrin A; a novel antimicrobial cyclic peptide from a cyanobacterium","journal":"Tetrahedron Letters","year":1994,"volume":"35","issue":"45","pages":"8473-8476"},"origin_organism":{"id":4002,"type":"Bacterium","genus":"Schizothrix","species":"sp. (TAU strain IL89-2)","taxon":{"id":465,"name":"Schizothrix","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":240294,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":417,"name":"Cyanobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1117},{"id":418,"name":"Cyanophyceae","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":449,"name":"Synechococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1890424},{"id":464,"name":"Schizotrichaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1890440}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/s0040-4039(00)74436-4","structure_smiles":"CCCC(=O)N(C)[C@@H](C)C(=O)OC(CC1C(C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N3CCC[C@H]3C(=O)N1)CCC4=CC=C(C=C4)OC)CO)CO)C(C)C)CC5=CC=CC=C5)CCC(=O)N)O)CC(C(CC(C)C)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"[H]\\C(C)=C1/N=C(O)[C@]([H])(CO)N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CC2=CC=CC=C2)N=C(O)[C@]2([H])CCCN2C(=O)CN=C(O)[C@]([H])(CCC(O)=N)N=C(O)C([H])(O)C([H])(CC([H])(CC([H])(O)C([H])(O)CC(C)C)OC(=O)[C@]([H])(C)N(C)C(=O)CCC)N=C(O)[C@]2([H])CCCN2C(=O)C([H])(CCC2=CC=C(OC)C=C2)N=C(O)[C@]([H])(CO)N=C1O)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=WQUIFMUZEMMABK-PLYNYAALSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["Alanine and derivatives","Alcohols and polyols","Alkyl aryl ethers","Alpha amino acid esters","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Anisoles","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Cyclic peptides","Ethers","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Lactams","Lipids and lipid-like molecules","Methoxybenzenes","Monocarboxylic acids and derivatives","N-acyl amines","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Phenol ethers","Phenoxy compounds","Polyols","Primary alcohols","Propargyl-type 1,3-dipolar organic compounds","Pyrrolidines","Secondary alcohols","Tertiary carboxylic acid amides"],"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 peptides. 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