| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:48 UTC |
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| Update Date | 2025-03-25 00:55:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210024 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12F3NO3 |
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| Molecular Mass | 275.0769 |
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| SMILES | CC(c1ccc(C(=O)NCC(=O)O)cc1)C(F)(F)F |
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| InChI Key | ODIPOQGMNLFWRG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidsaromatic monoterpenoidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidbenzoylp-cymeneorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidealkyl fluorideorganofluoridehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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