{"id":29771,"npaid":"NPA029771","original_name":"Columbamide H","mol_formula":"C23H44ClNO3","mol_weight":"418.0620","exact_mass":"417.3010","inchikey":"FTZLVCBIANZKJT-GEQHOJJFSA-N","smiles":"CCCCCCCCC(Cl)CCCC/C=C/CCC(=O)N(C)[C@H](CO)COC","cluster_id":6031,"node_id":4224,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C23H44ClNO3/c1-4-5-6-7-10-13-16-21(24)17-14-11-8-9-12-15-18-23(27)25(2)22(19-26)20-28-3/h9,12,21-22,26H,4-8,10-11,13-20H2,1-3H3/b12-9+/t21?,22-/m1/s1","m_plus_h":"418.3083","m_plus_na":"440.2902","origin_reference":{"doi":"10.1021/acs.jnatprod.0c00164","pmid":32432877,"authors":"Matsuda, Fuyuhiko; Mehjabin, Jakia Jerin; Morikawa, Masaaki; Okino, Tatsufumi; Petitbois, Julie G.; Umezawa, Taiki; Vairappan, Charles S.; Wei, Liang","title":"Biosurfactants from Marine Cyanobacteria Collected in Sabah, Malaysia","journal":"Journal of Natural Products","year":2020,"volume":"83","issue":"6","pages":"1925-1930"},"origin_organism":{"id":5266,"type":"Bacterium","genus":"Moorea","species":"bouillonii","taxon":{"id":479,"name":"Moorea","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1155738,"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":"10.1021/acs.jnatprod.0c00164","structure_smiles":"CCCCCCCCC(Cl)CCCC/C=C/CCC(=O)N(C)[C@H](CO)COC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003909","name":"Fatty Acyls","chemont_id":"CHEMONTID:0003909","description":"Organic molecules synthesized by chain elongation of an acetyl-CoA primer with malonyl-CoA (or methylmalonyl-CoA) groups that might contain a cyclic functionality and/or are substituted with heteroatoms."},"smiles":"CCCCCCCCC(Cl)CCCC\\C=C\\CCC(=O)N(C)[C@H](CO)COC","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=FTZLVCBIANZKJT-GEQHOJJFSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000331","name":"Fatty amides","chemont_id":"CHEMONTID:0000331","description":"Carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine."},"ancestors":["Alcohols and polyols","Alkyl chlorides","Alkyl halides","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Ethers","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Lipids and lipid-like molecules","N-acyl amines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Tertiary carboxylic acid amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as n-acyl amines. 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