| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:26 UTC |
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| Update Date | 2025-03-21 18:01:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034751 |
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| Frequency | 103.2 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | CC(NC(=O)OCc1ccccc1)C(=O)O |
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| InChI Key | TYRGLVWXHJRKMT-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzyloxycarbonylscarbamate esterscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acidcarbamic acid esteraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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