| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:03 UTC |
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| Update Date | 2025-03-21 18:37:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117753 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C12H13NO5 |
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| Molecular Mass | 251.0794 |
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| SMILES | NC(CC(=O)OC(=O)Cc1ccccc1)C(=O)O |
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| InChI Key | AWHHULIXVQFXKF-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 acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid anhydridescarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidtricarboxylic acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundcarboxylic acid anhydridealpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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