| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:56 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155698 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO5 |
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| Molecular Mass | 279.1107 |
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| SMILES | Cc1cccc(C)c1N(CC(=O)O)C(=O)CCC(=O)O |
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| InChI Key | ZULQMQLYMWIHBE-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 | alpha amino acidsanilidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidn-acyl-alpha-amino acidm-xylenecarboxamide grouparomatic homomonocyclic compoundxyleneanilideorganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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