| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:09 UTC |
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| Update Date | 2025-03-21 18:36:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113117 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C9H12N2O3 |
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| Molecular Mass | 196.0848 |
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| SMILES | Nc1ccccc1C(O)C(N)C(=O)O |
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| InChI Key | ZWWADCPEAOVREA-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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