| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:00 UTC |
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| Update Date | 2025-03-25 00:45:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151131 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | Cc1oc2ccccc2c1C(=O)CC(N)C(=O)O |
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| InChI Key | RBUDPPKRBYDKHO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzenoidsbenzofuranscarboxylic acidsfuroic acid and derivativesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaryl alkyl ketoneketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundfuroic acid or derivativesbenzofuranheteroaromatic compoundgamma-keto acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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