| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:58 UTC |
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| Update Date | 2025-03-25 00:54:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203439 |
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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)CC(NC(CC(=O)c1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | KTQMQTHFZCYJLE-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 | alkyl-phenylketonesalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdialkylaminesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acidbenzoyltricarboxylic acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminephenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundorganic oxygen compoundketo acidaspartic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaminearyl ketone |
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