| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:56 UTC |
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| Update Date | 2025-03-21 18:31:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085958 |
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| Frequency | 33.2 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | CC(=O)NC(C)C(=O)OCc1ccccc1 |
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| InChI Key | UTQIYNMVMSLACU-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 | acetamidesalanine and derivativesalpha amino acid estersalpha amino acidsbenzyloxycarbonylscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl grouporganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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