| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:28 UTC |
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| Update Date | 2025-03-25 00:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227638 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O5 |
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| Molecular Mass | 252.0746 |
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| SMILES | CC(=O)NC(C(=O)O)C(=O)c1cc(O)ccc1N |
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| InChI Key | YFXNCQICVSIWOI-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 | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoidsacetamidesalkyl-phenylketonesalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidevinylogous amiden-acyl-alpha-amino acidcarboxamide groupphenylketonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compound1,3-dicarbonyl compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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