| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:47 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187135 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O4 |
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| Molecular Mass | 276.111 |
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| SMILES | CC(C)(C)c1cc(C(=O)NCC(=O)O)cc(C#N)c1O |
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| InChI Key | FAVZCMUPEVPVHT-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzonitrilesbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenolsphenylpropanessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrilecarboxylic acidbenzoylbenzamidephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrilehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinebenzonitrilearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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