| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:51 UTC |
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| Update Date | 2025-03-25 00:59:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO5 |
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| Molecular Mass | 239.0794 |
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| SMILES | NC(c1ccc(CC(=O)O)cc1)C(O)C(=O)O |
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| InChI Key | ARVXHBFHFZDWEI-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic 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 oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholdicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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