| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:58:02 UTC |
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| Update Date | 2025-03-25 00:31:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02057421 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C4H4ClNO2 |
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| Molecular Mass | 132.9931 |
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| SMILES | O=C1NC(O)C=C1Cl |
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| InChI Key | XAPIUQNKMVUZPI-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 | alkanolaminesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschloroalkeneshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinyl chlorides |
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| Substituents | carbonyl grouplactamazacyclechloroalkeneorganochloridecarboxamide groupcarboxylic acid derivativeorganohalogen compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinevinyl halidealiphatic heteromonocyclic compoundhaloalkeneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundvinyl chlorideorganooxygen compoundalkanolamine |
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