| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:30 UTC |
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| Update Date | 2025-03-21 18:06:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063335 |
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| Frequency | 48.8 |
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| Structure | |
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| Chemical Formula | C9H11NO3 |
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| Molecular Mass | 181.0739 |
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| SMILES | NC(c1ccccc1)C(O)C(=O)O |
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| InChI Key | RZARFIRJROUVLM-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidmonosaccharidehydroxy acidbeta amino acid or derivativesaromatic homomonocyclic compoundsaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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