| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:55 UTC |
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| Update Date | 2025-03-25 00:49:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO4 |
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| Molecular Mass | 171.0532 |
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| SMILES | NC(=O)C1(O)CC(O)C=CC1=O |
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| InChI Key | NGFXEHLHFCFRCL-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 | acyloinscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholstertiary alcohols |
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| Substituents | primary carboxylic acid amidealcoholcyclohexenonecarboxamide groupcarboxylic acid derivativetertiary alcoholorganic oxideacyloinorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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