| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:56 UTC |
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| Update Date | 2025-03-25 00:55:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210344 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO6 |
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| Molecular Mass | 271.1056 |
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| SMILES | CC(=O)NC1C(O)CC(C(=O)O)=CC1C(O)C(C)=O |
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| InChI Key | LKHZJXRXGNSZCN-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 | acyloins |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholcarboxylic acidcarboxamide groupalpha-hydroxy ketonecarboxylic acid derivativeketonesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesacyloinorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamide |
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