| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:36 UTC |
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| Update Date | 2025-03-21 18:04:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051858 |
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| Frequency | 62.9 |
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| Structure | |
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| Chemical Formula | C10H11NO3 |
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| Molecular Mass | 193.0739 |
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| SMILES | CC(=O)NCCC1=CC(=O)C(=O)C=C1 |
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| InChI Key | WALUDRYRFZLUJY-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 | quinones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acetamidescarboxylic acids and derivativeshydrocarbon derivativeso-benzoquinonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | o-benzoquinonecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamidequinone |
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