| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:48 UTC |
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| Update Date | 2025-03-21 18:40:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131347 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C11H11NO4 |
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| Molecular Mass | 221.0688 |
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| SMILES | CC(=O)c1cccc(C(=O)NCC(=O)O)c1 |
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| InChI Key | UBGQCPFIZUOTMY-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 | acetophenonesalkyl-phenylketonesalpha amino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonebenzoylbenzamideketoneorganic oxideorganonitrogen compoundalpha-amino acidacetophenoneorganopnictogen compoundhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinephenylketonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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