| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:46 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152942 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O6 |
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| Molecular Mass | 296.1008 |
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| SMILES | NC(=O)Cc1ccc(OC(CC(N)C(=O)O)C(=O)O)cc1 |
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| InChI Key | BFRZZEJBMHMZSL-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenoxyacetic acid derivativesphenylacetamidesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamideglutamic acid or derivativescarboxamide grouparomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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