| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:18 UTC |
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| Update Date | 2025-03-21 18:41:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132490 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C8H9NO5 |
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| Molecular Mass | 199.0481 |
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| SMILES | NC(CC1C=CC(=O)C(=O)O1)C(=O)O |
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| InChI Key | RFYLEPXDTXZTMF-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acid esterscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesdihydropyranoneshydrocarbon derivativeslactonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic aciddihydropyranonecyclic ketoneketonelactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundpyranonealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundoxacycleorganic oxygen compoundpyrancarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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