| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:07 UTC |
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| Update Date | 2025-03-21 18:04:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048441 |
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| Frequency | 68.4 |
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| Structure | |
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| Chemical Formula | C13H13NO7 |
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| Molecular Mass | 295.0692 |
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| SMILES | CC(=O)NC(COC(=O)c1ccccc1C(=O)O)C(=O)O |
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| InChI Key | FHQFIEJGVKXHIT-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 | 1-carboxy-2-haloaromatic compoundsacetamidesalpha amino acidsbenzoic acid estersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamiden-acyl-alpha-amino acidbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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