| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:55 UTC |
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| Update Date | 2025-03-25 00:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235425 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO6 |
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| Molecular Mass | 295.1056 |
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| SMILES | Cc1ccc(O)c(C)c1CC(=O)NC(CC(=O)O)C(=O)O |
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| InChI Key | RPOBFODQWHJSPS-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho cresolspara cresolsphenylacetamidessecondary carboxylic acid amidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidxyleneorganic oxidep-cresolo-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidm-xylenecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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