| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:28 UTC |
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| Update Date | 2025-03-25 00:59:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238874 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO4 |
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| Molecular Mass | 235.0845 |
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| SMILES | O=CNc1cc(CC2CCC(=O)O2)ccc1O |
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| InChI Key | DOXSWRRVLOYZDJ-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 | anilides |
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| Direct Parent | anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundtetrahydrofurancarboxamide groupgamma butyrolactoneanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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