| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:33:28 UTC |
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| Update Date | 2025-03-21 22:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00564684 |
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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 | CC(=O)C1=CCC(=O)N1 |
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| InChI Key | OVKBLBKJQMLWSO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrrolines |
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| Subclass | pyrrolines |
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| Direct Parent | pyrrolines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativesketoneslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativeketonesecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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