| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:21 UTC |
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| Update Date | 2025-03-25 00:46:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156578 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | O=C1CC=CN1CCO |
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| InChI Key | TVZVVANILXNMAE-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 | alcohols and polyolsalkanolaminesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | alcoholcarbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundpyrrolinetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkanolamine |
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