| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:27 UTC |
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| Update Date | 2025-03-25 00:54:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206826 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13FN2O4 |
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| Molecular Mass | 280.0859 |
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| SMILES | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(O)F |
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| InChI Key | QTGNIVLFTOZZTN-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl fluoridesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindoleorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideorganoheterocyclic compoundalcoholazacyclen-acyl-alpha-amino acidalkyl fluorideorganofluorideheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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