| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:03:27 UTC |
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| Update Date | 2025-03-24 14:10:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00778754 |
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| Frequency | 1.9 |
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| Structure | |
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| Chemical Formula | C7H7NO |
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| Molecular Mass | 121.0528 |
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| SMILES | CC1=C(C#N)C(=O)CC1 |
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| InChI Key | QCIMFZJSIDGHRY-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 | cyclic ketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilecyclic ketoneorganic oxideorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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