| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:48 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152996 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O3 |
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| Molecular Mass | 208.0848 |
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| SMILES | NC(=O)c1cccc(C(N)CC(=O)O)c1 |
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| InChI Key | SZJBJEYCQOLJDS-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 | benzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoylbenzoic acid or derivativescarboxamide groupbeta amino acid or derivativesbenzamidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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