| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:22 UTC |
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| Update Date | 2025-03-25 00:51:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186184 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO4 |
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| Molecular Mass | 249.1001 |
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| SMILES | O=C(CC1CCC(=O)O1)NCc1ccc(O)cc1 |
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| InChI Key | YVUGRTBMDITIDU-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivativegamma butyrolactonelactoneoxacyclesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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