{"id":16373,"npaid":"NPA016373","original_name":"Chloramphenicol","mol_formula":"C11H12Cl2N2O5","mol_weight":"323.1320","exact_mass":"322.0123","inchikey":"WIIZWVCIJKGZOK-UHFFFAOYSA-N","smiles":"C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]","cluster_id":5596,"node_id":3962,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)","m_plus_h":"323.0196","m_plus_na":"345.0015","origin_reference":{"doi":"10.1021/ja01175a065","pmid":null,"authors":"Rebstock, Mildred C; Crooks, Harry M; Controulis, John; Bartz, Quentin R","title":"Chloramphenicol (chloromycetin). 1 IV. 1a chemical studies","journal":"Journal of the American Chemical Society","year":1949,"volume":"71","issue":"7","pages":"2458-2462"},"origin_organism":{"id":147,"type":"Bacterium","genus":"Streptomyces","species":"venezuelae","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/ja01175a065","structure_smiles":"C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000893"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684534%3%Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000079503%3%MLS001055372-01!"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000205127%3%Massbank:BML00960&Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000205132%3%Massbank:BML00969&Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000221162%3%Massbank:KO008918&Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000223625%3%Massbank:UF407301&Chloramphenicol|2,2-bis(chloranyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000223626%3%Massbank:UF407302&Chloramphenicol|2,2-bis(chloranyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000223627%3%Massbank:UF407303&Chloramphenicol|2,2-bis(chloranyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000223628%3%Massbank:UF407304&Chloramphenicol|2,2-bis(chloranyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000841660%3%MassbankEU:SM831806&Chloramphenicol|2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000841661%3%MassbankEU:SM831851&Chloramphenicol|2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000564971%3%MoNA:2730241&2,2-bis(chloranyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000564992%3%MoNA:2740434&2,2-bis(chloranyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000565065%3%MoNA:2740878&2,2-bis(chloranyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000565239%3%MoNA:2246810&2,2-Dichloro-N-[(1s,2s)-1,3-Dihydroxy-1-(4-Nitrophenyl)propan-2-Yl]acetamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000565331%3%MoNA:2246799&2,2-Dichloro-N-[(1s,2s)-1,3-Dihydroxy-1-(4-Nitrophenyl)propan-2-Yl]acetamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000565351%3%MoNA:2243082&2,2-Dichloro-N-[(1s,2s)-1,3-Dihydroxy-1-(4-Nitrophenyl)propan-2-Yl]acetamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000565366%3%MoNA:2246800&2,2-Dichloro-N-[(1s,2s)-1,3-Dihydroxy-1-(4-Nitrophenyl)propan-2-Yl]acetamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000566230%3%MoNA:664263&Amphicol&(TN)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000567241%3%MoNA:2455571&2,2-Dichloro-N-[(1s,2s)-1,3-Dihydroxy-1-(4-Nitrophenyl)propan-2-Yl]acetamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000567446%3%MoNA:2470853&2,2-Dichloro-N-[(1s,2s)-1,3-Dihydroxy-1-(4-Nitrophenyl)propan-2-Yl]acetamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000568348%3%MoNA:642881&MLS001055372-01!&M+H"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000569340%3%MoNA:2870720&Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000569348%3%MoNA:2870089&Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000569980%3%MoNA:1033341&MLS001055372-01!&M+H"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000572303%3%MoNA:642885&2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000572472%3%MoNA:641415&2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000572479%3%MoNA:642872&2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000572697%3%MoNA:642853&2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000572706%3%MoNA:642881&2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000572720%3%MoNA:642852&2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000573737%3%MoNA:2792837&Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000573848%3%MoNA:2241567&LCL"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000574166%3%MoNA:2870720&2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684535%3%Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684536%3%Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684537%3%Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691469%3%Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691470%3%Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691471%3%Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691472%3%Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691473%3%Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691474%3%Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000579362%1%0020_Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000579577%1%0020_Chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000004910%Chloramphenicol%3!CCMSLIB00000004911%Chloramphenicol%3!CCMSLIB00000004912%Chloramphenicol%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00006718020%chloramphenicol%1"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003138201%Spectral Match to Chloramphenicol from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003138378%Spectral Match to Chloramphenicol from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003138586%Spectral Match to Chloramphenicol from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003140049%Spectral Match to Chloramphenicol from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009944102%Suspect related to Chloramphenicol (predicted molecular formula: unknown) with delta m/z -18.011 (putative explanation: Dehydration|Pyro-glu from E|carbodiimide crosslinker; atomic difference: -2H,-1O|-2H,-1O|-2H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009944103%Suspect related to Chloramphenicol (predicted molecular formula: unknown) with delta m/z -2.007 (putative explanation: O isotope (reverse)|O18 Labeling (reverse); atomic difference: -(18)O|1O,-1O[18])%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009944104%Suspect related to Chloramphenicol (predicted molecular formula: unknown) with delta m/z 18.017 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009944105%Suspect related to Chloramphenicol (predicted molecular formula: C9H12N2O7S2) with delta m/z 1.999 (putative explanation: S isotope|Cl isotope|Br isotope|Glu->Met substitution; atomic difference: (34)S|(37)Cl|(81)Br|2H,-2O,1S)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009953938%Suspect related to Massbank:EQ307052 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide (predicted molecular formula: C9H8N6O4P2) with delta m/z 3.995 (putative explanation: Pro->Thr substitution|tryptophan oxidation to kynurenin|Oxidative cleavage; atomic difference: -1C,1O|-1C,1O|1O,-1C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009953939%Suspect related to Massbank:EQ307052 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide (predicted molecular formula: C11H11N2O6P3) with delta m/z 37.978 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005726156%Massbank:UF407354 Chloramphenicol|Chloromycetny|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005726166%Massbank:UF407353 Chloramphenicol|Chloromycetny|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005726303%Massbank:UF407352 Chloramphenicol|Chloromycetny|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005726506%Massbank:UF407351 Chloramphenicol|Chloromycetny|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005728153%Massbank:KO000458 Chloramphenicol%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005728482%Massbank:KO000457 Chloramphenicol%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005728948%Massbank:KO000459 Chloramphenicol%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005729008%Massbank:KO000460 Chloramphenicol%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005729456%Massbank:KO000456 Chloramphenicol%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005730552%Massbank:EQ307056 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005730820%Massbank:EQ307001 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005732897%Massbank:EQ307004 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005733057%Massbank:EQ307006 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005733143%Massbank:EQ307055 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005733406%Massbank:EQ307054 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005733495%Massbank:EQ307053 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005733888%Massbank:EQ307003 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005734179%Massbank:EQ307005 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005734779%Massbank:EQ307002 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005736199%Massbank:EQ307052 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005736423%Massbank:EQ307051 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005762351%Massbank:LU066254 Chloramphenicol|2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005765450%Massbank:LU066256 Chloramphenicol|2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005765892%Massbank:LU066253 Chloramphenicol|2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005766020%Massbank:LU066251 Chloramphenicol|2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005766750%Massbank:LU066252 Chloramphenicol|2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005767082%Massbank:LU066255 Chloramphenicol|2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005771936%Massbank:BML00987 Chloramphenicol%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005772055%Massbank:BML00995 Chloramphenicol%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005772228%Massbank:AU230602 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005773596%Massbank:AU230657 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005774154%Massbank:AU230605 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005774536%Massbank:AU230606 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005774956%Massbank:AU230660 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005775418%Massbank:AU230601 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005776187%Massbank:AU230658 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005776694%Massbank:AU230659 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005776880%Massbank:AU230603 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005776881%Massbank:AU230662 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005776902%Massbank:AU230604 Chloramphenicol|2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012114142%Suspect related to Massbank:EQ307052 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide (predicted molecular formula SIRIUS: C11H11N2O6P3 / BUDDY: C9H9N6O4PS2) with delta m/z 37.978 (putative explanation: unspecified; atomic difference: unspecified) [M-H]-%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000563637%3%MoNA:2740878&chloramphenicol"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012104305%Suspect related to Chloramphenicol (predicted molecular formula SIRIUS: unknown / BUDDY: unknown) with delta m/z -18.011 (putative explanation: Dehydration|Pyro-glu from E|carbodiimide crosslinker; atomic difference: -2H,-1O|-2H,-1O|-2H,-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012104306%Suspect related to Chloramphenicol (predicted molecular formula SIRIUS: unknown / BUDDY: unknown) with delta m/z -2.007 (putative explanation: O isotope (reverse)|O18 Labeling (reverse); atomic difference: -(18)O|1O,-1O[18]) [M-H2O+H+2i]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012104307%Suspect related to Chloramphenicol (predicted molecular formula SIRIUS: unknown / BUDDY: unknown) with delta m/z 18.017 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H+2i]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012104308%Suspect related to Chloramphenicol (predicted molecular formula SIRIUS: C9H12N2O7S2 / BUDDY: C14H12O5S2) with delta m/z 1.999 (putative explanation: S isotope|Cl isotope|Br isotope|Glu->Met substitution; atomic difference: (34)S|(37)Cl|(81)Br|2H,-2O,1S) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012114141%Suspect related to Massbank:EQ307052 Chloramphenicol|CLM|2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide (predicted molecular formula SIRIUS: C9H8N6O4P2 / BUDDY: C9H6N6O6S) with delta m/z 3.995 (putative explanation: Pro->Thr substitution|tryptophan oxidation to kynurenin|Oxidative cleavage; atomic difference: -1C,1O|-1C,1O|1O,-1C) [M-H]-%4"},{"external_db_name":"npmrd","external_db_code":"NP0316045"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002279","name":"Benzene and substituted derivatives","chemont_id":"CHEMONTID:0002279","description":"Aromatic compounds containing one monocyclic ring system consisting of benzene."},"smiles":"OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)[N+]([O-])=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=WIIZWVCIJKGZOK-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000036","name":"Nitrobenzenes","chemont_id":"CHEMONTID:0000036","description":"Compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group."},"ancestors":["Alcohols and polyols","Alkyl chlorides","Alkyl halides","Allyl-type 1,3-dipolar organic compounds","Aromatic alcohols","Benzene and substituted derivatives","Benzenoids","C-nitro compounds","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Hydrocarbon derivatives","Nitroaromatic compounds","Nitrobenzenes","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitro compounds","Organic nitrogen compounds","Organic oxides","Organic oxoazanium compounds","Organic oxygen compounds","Organic zwitterions","Organochlorides","Organohalogen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Primary alcohols","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols","Secondary carboxylic acid amides"],"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 nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","substituents":["Nitrobenzene","Nitroaromatic compound","Carboxamide group","C-nitro compound","Secondary alcohol","Secondary carboxylic acid amide","Organic nitro compound","Carboxylic acid derivative","Organic oxoazanium","Allyl-type 1,3-dipolar organic compound","Propargyl-type 1,3-dipolar organic compound","Organic 1,3-dipolar compound","Carbonyl group","Hydrocarbon derivative","Organic oxide","Primary alcohol","Organooxygen compound","Organonitrogen compound","Organochloride","Alkyl chloride","Organohalogen compound","Organopnictogen compound","Organic oxygen compound","Alcohol","Organic nitrogen compound","Aromatic alcohol","Organic zwitterion","Alkyl halide","Aromatic homomonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000036","name":"Nitrobenzenes","chemont_id":"CHEMONTID:0000036","description":"Compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004612","name":"Nitroaromatic compounds","chemont_id":"CHEMONTID:0004612","description":"C-nitro compounds where the nitro group is C-substituted with an aromatic group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001663","name":"Secondary carboxylic acid amides","chemont_id":"CHEMONTID:0001663","description":"Compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003633","name":"Propargyl-type 1,3-dipolar organic compounds","chemont_id":"CHEMONTID:0003633","description":"Organic 1,3-dipolar compounds with the general structure  X#N+-Z- <-> X-=N+=Z <-> X-=N-Z+ <-> X-N=Z (X = C or O, Z = C, N, or O)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001508","name":"Organic oxoazanium compounds","chemont_id":"CHEMONTID:0001508","description":"Organic compounds comprising the oxoazanium cation, with the formula N+=O."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000286","name":"Primary alcohols","chemont_id":"CHEMONTID:0000286","description":"Compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001516","name":"Organochlorides","chemont_id":"CHEMONTID:0001516","description":"Compounds containing a chemical bond between a carbon atom and a chlorine atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003610","name":"Organic zwitterions","chemont_id":"CHEMONTID:0003610","description":"Organic neutral compounds having formal unit electrical charges of opposite sign."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. 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."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003073","name":"Aromatic alcohols","chemont_id":"CHEMONTID:0003073","description":"Compounds containing an alcohol group attached to an aromatic carbon."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001026","name":"Alkyl chlorides","chemont_id":"CHEMONTID:0001026","description":"Organic compounds containing the alkyl chloride functional group with formula R-Cl , where R is an alkyl group."}],"molecular_framework":"Aromatic homomonocyclic compounds","external_descriptors":[{"source":"META CYC","source_id":"CHLORAMPHENICOL","annotations":["a small molecule"]}],"predicted_chebi_terms":["aromatic compound (CHEBI:33655)","carboxamide (CHEBI:37622)","secondary alcohol (CHEBI:35681)","dipolar compound (CHEBI:51151)","nitrogen molecular entity (CHEBI:51143)","organooxygen compound (CHEBI:36963)","primary alcohol (CHEBI:15734)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organonitrogen compound (CHEBI:35352)","organochlorine compound (CHEBI:36683)","zwitterion (CHEBI:27369)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","carbonyl compound (CHEBI:36586)","aromatic alcohol (CHEBI:33854)","nitrobenzenes (CHEBI:48109)","chemical entity (CHEBI:24431)","nitro compound (CHEBI:35715)","amide (CHEBI:32988)","oxygen molecular entity (CHEBI:25806)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","organohalogen compound (CHEBI:36684)","haloalkane (CHEBI:24469)","benzenoid aromatic compound (CHEBI:33836)","benzenes (CHEBI:22712)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":["Amino acids and Peptides"],"superclass_results":[]}}