| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:57 UTC |
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| Update Date | 2025-03-21 17:59:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021911 |
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| Frequency | 181.6 |
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| Structure | |
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| Chemical Formula | C10H13NO2 |
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| Molecular Mass | 179.0946 |
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| SMILES | CC(N)C(=O)OCc1ccccc1 |
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| InChI Key | YGYLYUIRSJSFJS-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 | alpha amino acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsbenzyloxycarbonylscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl groupalpha-amino acid esteraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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