| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:31:04 UTC |
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| Update Date | 2025-03-25 01:27:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02411266 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C2H2ClNO3 |
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| Molecular Mass | 122.9723 |
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| SMILES | O=C(Cl)C[N+](=O)[O-] |
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| InChI Key | SGHKCWXITYOJPT-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl chloridesc-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 grouporganochlorideallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganohalogen compoundacyl halideorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundacyl chlorideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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