| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:10 UTC |
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| Update Date | 2025-03-21 18:31:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086487 |
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| Frequency | 33.0 |
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| Structure | |
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| Chemical Formula | C13H15NO5 |
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| Molecular Mass | 265.095 |
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| SMILES | COC(=O)C(CC(=O)O)NC(=O)Cc1ccccc1 |
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| InChI Key | LRLOHLXEESKWPZ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha amino acid or derivativesalpha-amino acid estern-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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