| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:53:19 UTC |
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| Update Date | 2025-03-25 00:29:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02046170 |
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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 | COC1=C(Cl)C(=O)N1 |
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| InChI Key | MMBQFKFPJPWZEQ-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 | vinylogous amides |
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| Subclass | vinylogous amides |
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| Direct Parent | vinylogous amides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschloroalkeneshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinyl chloridesvinylogous esters |
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| Substituents | vinylogous amidecarbonyl grouplactamazacyclevinylogous esterchloroalkeneorganochloridecarboxamide groupcarboxylic acid derivativeorganohalogen compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundvinyl halidealiphatic heteromonocyclic compoundhaloalkeneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundvinyl chlorideorganoheterocyclic compoundorganooxygen compound |
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