{"id":16888,"npaid":"NPA016888","original_name":"Euhalothece-362","mol_formula":"C14H22N2O7","mol_weight":"330.3370","exact_mass":"330.1427","inchikey":"LFVNAUNRQHDMMU-TWUNJUTQSA-N","smiles":"C[C@@H](C(=O)O)N=C1C[C@](CC(=C1OC)N/C=C(\\CO)/O)(CO)O","cluster_id":5729,"node_id":3673,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C14H22N2O7/c1-8(13(20)21)16-11-4-14(22,7-18)3-10(12(11)23-2)15-5-9(19)6-17/h5,8,15,17-19,22H,3-4,6-7H2,1-2H3,(H,20,21)/b9-5+,16-11?/t8-,14+/m0/s1","m_plus_h":"331.1500","m_plus_na":"353.1319","origin_reference":{"doi":"10.1111/j.1574-6968.2006.00203.x","pmid":16630254,"authors":"Volkmann, Marc; Gorbushina, Anna A.; Kedar, Laura; Oren, Aharon","title":"Structure of euhalothece-362, a novel red-shifted mycosporine-like amino acid, from a halophilic cyanobacterium (Euhalothece sp.)","journal":"FEMS Microbiology Letters","year":2006,"volume":"258","issue":"1","pages":"50-54"},"origin_organism":{"id":360,"type":"Bacterium","genus":"Cyanobacterium","species":"sp.","taxon":{"id":470,"name":"Cyanobacterium","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":102234,"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":466,"name":"Chroococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1118},{"id":469,"name":"Cyanobacteriaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1111/j.1574-6968.2006.00203.x","structure_smiles":"C[C@@H](C(=O)O)N=C1C[C@](CC(=C1OC)N/C=C(\\CO)/O)(CO)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0006298"}],"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(NC1=C(OC)C(C[C@@](O)(CO)C1)=N[C@@]([H])(C)C(O)=O)=C(/O)CO","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=LFVNAUNRQHDMMU-TWUNJUTQSA-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","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Azomethines","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylamines","Enamines","Hydrocarbon derivatives","Imines","Ketimines","Monocarboxylic acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Primary alcohols","Propargyl-type 1,3-dipolar organic compounds","Secondary amines","Secondary ketimines","Tertiary alcohols"],"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 alanine and derivatives. 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