{"id":19210,"npaid":"NPA019210","original_name":"Ypaoamide A","mol_formula":"C26H36N2O5","mol_weight":"456.5830","exact_mass":"456.2624","inchikey":"ATTMLQCPKPSEGH-FCKILEINSA-N","smiles":"CC(C)(C)CCCCC(=O)NCC/C(=C\\C(=O)N1[C@H](C=CC1=O)CC2=CC=C(C=C2)O)/OC","cluster_id":6205,"node_id":4320,"has_exclusions":false,"synonyms":[{"reference_doi":"10.1016/0040-4039(96)01391-3","name":"Ypaoamide"}],"inchi":"InChI=1S/C26H36N2O5/c1-26(2,3)15-6-5-7-23(30)27-16-14-22(33-4)18-25(32)28-20(10-13-24(28)31)17-19-8-11-21(29)12-9-19/h8-13,18,20,29H,5-7,14-17H2,1-4H3,(H,27,30)/b22-18+/t20-/m1/s1","m_plus_h":"457.2697","m_plus_na":"479.2516","origin_reference":{"doi":"10.1016/0040-4039(96)01391-3","pmid":null,"authors":"Nagle, Dale G.; Paul, Valerie J.; Roberts, Mary Ann","title":"Ypaoamide, a new broadly acting feeding deterrent from the marine cyanobacterium Lyngbya majuscula","journal":"Tetrahedron Letters","year":1996,"volume":"37","issue":"35","pages":"6263-6266"},"origin_organism":{"id":72,"type":"Bacterium","genus":"Lyngbya","species":"majuscula","taxon":{"id":477,"name":"Lyngbya","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":28073,"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":473,"name":"Oscillatoriales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1150},{"id":474,"name":"Oscillatoriaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1892254}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/0040-4039(96)01391-3","structure_smiles":"CC(C)(C)CCCCC(=O)NCC/C(=C\\C(=O)N1[C@H](C=CC1=O)CC2=CC=C(C=C2)O)/OC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0151876"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000134","name":"Phenols","chemont_id":"CHEMONTID:0000134","description":"Compounds containing a phenol moiety, which is a benzene bearing a hydroxyl group."},"smiles":"CO\\C(CCNC(=O)CCCCC(C)(C)C)=C\\C(=O)N1[C@@H](CC2=CC=C(O)C=C2)C=CC1=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=ATTMLQCPKPSEGH-FCKILEINSA-N","subclass":{"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."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid imides","Carboxylic acids and derivatives","Chemical entities","Dicarboximides","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Lipids and lipid-like molecules","N-acyl amines","N-substituted carboxylic acid imides","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenols","Pyrrolines","Secondary carboxylic acid amides","Tertiary amines","Vinylogous esters"],"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 1-hydroxy-2-unsubstituted benzenoids. 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They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."}],"molecular_framework":"Aromatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["dicarboximide (CHEBI:35356)","fatty amide (CHEBI:29348)","benzenes (CHEBI:22712)","enone (CHEBI:51689)","enol ether (CHEBI:47985)","pyrroline (CHEBI:23763)","tertiary amine (CHEBI:32876)","carboxamide (CHEBI:37622)","organonitrogen compound (CHEBI:35352)","organooxygen compound (CHEBI:36963)","organonitrogen heterocyclic compound (CHEBI:38101)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","carbonyl compound (CHEBI:36586)","phenols (CHEBI:33853)","chemical entity (CHEBI:24431)","organic acid (CHEBI:64709)","carboxylic acid (CHEBI:33575)","lipid (CHEBI:18059)","benzenoid aromatic compound (CHEBI:33836)","organic heterocyclic compound (CHEBI:24532)","nitrogen molecular entity (CHEBI:51143)","organic molecular entity (CHEBI:50860)","amine (CHEBI:32952)","amide (CHEBI:32988)","oxygen molecular entity (CHEBI:25806)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)"],"classification_version":"2.1","predicted_lipidmaps_terms":["N-acyl amines (FA0802)","Fatty Acyls (FA)","Fatty amides (FA08)"]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":["Amino acids and Peptides"],"superclass_results":[]}}