| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:36:45 UTC |
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| Update Date | 2025-03-21 22:51:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00572621 |
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| Frequency | 2.9 |
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| Structure | |
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| Chemical Formula | C6H7NO2 |
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| Molecular Mass | 125.0477 |
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| SMILES | CN1CC(=O)C=CC1=O |
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| InChI Key | VBHUHBQHGOKLPF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | tertiary carboxylic acid amides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativescyclic ketoneshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouplactamazacyclecyclic ketoneketoneorganic oxideorganic oxygen compoundtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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