| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:13:31 UTC |
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| Update Date | 2025-03-24 21:58:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01951260 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C2H4ClNO3 |
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| Molecular Mass | 124.988 |
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| SMILES | O=[N+]([O-])OCCCl |
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| InChI Key | DPJQIIJHCSOAOB-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 | organic nitric acids and derivatives |
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| Subclass | nitrate esters |
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| Direct Parent | nitrate esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridesalkyl nitrateshydrocarbon derivativesorganic nitro compoundsorganic nitrogen compoundsorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | aliphatic acyclic compoundorganic nitratealkyl chlorideorganochloridenitrate esterallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganohalogen compoundorganic nitro compoundorganic oxideorganic oxygen compoundalkyl nitratealkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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