| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:40 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200505 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO4 |
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| Molecular Mass | 263.1158 |
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| SMILES | COc1ccc(CNC(=O)CC2CCC(=O)O2)cc1 |
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| InChI Key | XLTLSXPKGDXQHX-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 ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundtetrahydrofurancarboxamide groupmethoxybenzenegamma butyrolactoneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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