| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:31 UTC |
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| Update Date | 2025-03-25 01:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO5 |
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| Molecular Mass | 201.0637 |
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| SMILES | CC(=O)NC1CC(O)C(O)=C(O)C1=O |
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| InChI Key | MKLLGNPYZPHNGL-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 | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acetamidescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | alcoholcyclohexenonecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amidevinylogous acidorganic oxideorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamide |
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