| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:33:19 UTC |
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| Update Date | 2025-03-24 17:52:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00994486 |
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| Frequency | 1.4 |
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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 | NC(=O)C1=CC(=O)CC1 |
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| InChI Key | KQTMSDKFMGDIDF-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 | primary carboxylic acid amides |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acids and derivativescyclic ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | primary carboxylic acid amidecarbonyl groupcyclic ketoneketoneorganic oxideorganic oxygen compoundorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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