| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:11:26 UTC |
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| Update Date | 2025-03-24 22:34:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01231367 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C3H3ClN2O |
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| Molecular Mass | 117.9934 |
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| SMILES | O=C1CN=C(Cl)N1 |
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| InChI Key | XHBQKXYKCBNVQW-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acids and derivativeshydrocarbon derivativesimidazolinonesorganic oxidesorganochloridesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupazacycleorganochlorideorganic 1,3-dipolar compoundcarboximidamideorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compound2-imidazolineimidazolinealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazolinonehydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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