| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:09 UTC |
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| Update Date | 2025-03-21 17:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017895 |
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| Frequency | 233.6 |
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| Structure | |
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| Chemical Formula | C10H12ClN3O2 |
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| Molecular Mass | 241.0618 |
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| SMILES | CN(CC(=O)O)C(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | XSJPBGBQKWVVON-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenecarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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