| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:00 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237834 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11F3N4O2S |
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| Molecular Mass | 296.0555 |
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| SMILES | Nc1nc(SCCC(F)(F)F)ncc1NC(=O)CO |
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| InChI Key | OFBAEQHBTMBAGX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | n-arylamides |
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| Direct Parent | n-arylamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl fluoridesalkylarylthioethersamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganofluoridesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesn-arylamidealkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundaryl thioetherpyrimidineorganic oxideorganopnictogen compoundalkyl halideimidolactamorganoheterocyclic compoundalcoholsulfenyl compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeprimary amineamineorganooxygen compound |
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