| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:13 UTC |
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| Update Date | 2025-03-25 00:52:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194819 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | CCN(CC)C(=O)COc1ccccc1C(=O)O |
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| InChI Key | AWSLTXVAURCPFB-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundstertiary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidcarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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