| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:48 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157541 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO7 |
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| Molecular Mass | 309.0849 |
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| SMILES | O=C(O)CCc1cccc(C(=O)NC(CC(=O)O)C(=O)O)c1 |
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| InChI Key | HFJLGEROIQLGIH-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 acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoyltricarboxylic acid or derivativesbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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