| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:10 UTC |
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| Update Date | 2025-03-21 18:01:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031743 |
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| Frequency | 115.7 |
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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 | CC(=O)Oc1ccc(N)cc1 |
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| InChI Key | QVJWBJWRAPJXNM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary amines |
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| Substituents | monocyclic benzene moietycarbonyl groupamino acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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