| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:28:23 UTC |
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| Update Date | 2025-03-25 00:42:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02128950 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H7NO2 |
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| Molecular Mass | 137.0477 |
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| SMILES | CNC1=CC(=O)C=CC1=O |
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| InChI Key | VFFXKKGOGYKGNF-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 | dialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsp-benzoquinonesvinylogous amides |
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| Substituents | vinylogous amidesecondary aliphatic aminep-benzoquinonesecondary amineorganic oxideorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminequinone |
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