| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:44 UTC |
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| Update Date | 2025-03-21 18:33:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097408 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C12H14N2O4 |
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| Molecular Mass | 250.0954 |
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| SMILES | CC(=O)NC(CC(=O)C(=O)O)c1ccccc1N |
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| InChI Key | HMUGDZVRLRUWDP-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsbenzene and substituted derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidgamma amino acid or derivativesalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundacetamidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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