| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:55 UTC |
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| Update Date | 2025-03-21 18:30:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083573 |
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| Frequency | 34.4 |
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| Structure | |
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| Chemical Formula | C10H10N2O4 |
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| Molecular Mass | 222.0641 |
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| SMILES | Nc1ccccc1C(=O)C(=O)NCC(=O)O |
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| InChI Key | QVQACQUTOFICFJ-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 acidsamino acidsaryl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylacetamidesprimary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamidevinylogous amidecarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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