| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:17:01 UTC |
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| Update Date | 2025-03-24 14:15:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00811143 |
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| Frequency | 1.8 |
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| Structure | |
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| Chemical Formula | CClNO3 |
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| Molecular Mass | 108.9567 |
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| SMILES | O=C(Cl)[N+](=O)[O-] |
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| InChI Key | DDDGGJDPYJAFSW-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 carbonic acids and derivatives |
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| Subclass | organic carbonic acids and derivatives |
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| Direct Parent | organic carbonic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundscarbonyl compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarbonic acid derivativeorganochlorideallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganohalogen compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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