| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:38 UTC |
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| Update Date | 2025-03-21 18:36:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109457 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | CC(C)C(NC(=O)C(O)c1ccccc1)C(=O)O |
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| InChI Key | VFSPGNQYZAELRA-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary alcoholssecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamidealcoholn-acyl-alpha-amino acidvaline or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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