| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:21 UTC |
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| Update Date | 2025-03-21 18:07:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067763 |
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| Frequency | 44.8 |
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| Structure | |
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| Chemical Formula | C8H9NO2 |
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| Molecular Mass | 151.0633 |
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| SMILES | NCC(=O)Oc1ccccc1 |
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| InChI Key | BXPNTXBBAVYAMD-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 | alpha amino acidscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupalpha-amino acid esteraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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