| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:05 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206008 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO5 |
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| Molecular Mass | 263.0794 |
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| SMILES | NC(=O)Cc1ccc(OC(=O)C2CCC(=O)O2)cc1 |
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| InChI Key | KSWWVUXFOUZVOV-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsphenylacetamidesprimary carboxylic acid amidestetrahydrofurans |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamideorganoheterocyclic compoundtetrahydrofurancarboxamide groupgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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