| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:44:26 UTC |
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| Update Date | 2025-03-21 22:55:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00590994 |
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| Frequency | 2.8 |
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| Structure | |
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| Chemical Formula | C2H2ClNO4 |
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| Molecular Mass | 138.9672 |
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| SMILES | O=C(O)C(Cl)[N+](=O)[O-] |
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| InChI Key | DBKXEUJTXWWPCF-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 | alkyl chloridesalpha-halocarboxylic acidsc-nitro compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochlorideallyl-type 1,3-dipolar organic compoundalpha-halocarboxylic acidorganohalogen compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideorganic oxoazaniumorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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