| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:53 UTC |
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| Update Date | 2025-03-25 00:53:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198687 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO4 |
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| Molecular Mass | 241.1314 |
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| SMILES | CC(=O)NC(CC(C)C)C(=O)C1CCC(=O)O1 |
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| InChI Key | DAFVIWWRNGVQOV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-acyloxy ketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | alpha-acyloxy ketonetetrahydrofurancarboxamide groupcarboxylic acid derivativegamma butyrolactoneketonelactoneoxacyclesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamide |
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